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231225s2018 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.4736
|2 doi
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|a pubmed24n0941.xml
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|a eng
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|a Kim, Hai-Young
|e verfasserin
|4 aut
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|a Observation of untoward 3 Jcc correlations in 1,1-ADEQUATE spectra of pyrimidine analogs
|b Avoiding potential interpretation pitfalls
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|c 2018
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
|b cr
|2 rdacarrier
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|a Date Revised 20.11.2019
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a Copyright © 2018 John Wiley & Sons, Ltd.
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|a Recently, it has been reported that large n JCC correlations can sometimes be observed in 1,1-ADEQUATE spectra with significant intensity, which opens the possibility of structural misassignment. In this work, we have focused on pyrimidine-based compounds, which exhibit multiple bond correlations in the 1,1-ADEQUATE experiment as a consequence of 3 JCC coupling constants greater than 10 Hz. Results are supported by both the experimental measurement of 3 JCC coupling constants in question using J-modulated-ADEQUATE and density functional theory calculations
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|a Journal Article
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|a 1,1-ADEQUATE
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|a 3JCC correlations
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|a J-modulated ADEQUATE
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| 650 |
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4 |
|a density functional theory
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| 650 |
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4 |
|a pyrimidines
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| 700 |
1 |
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|a Saurí, Josep
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Cohen, Ryan D
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Martin, Gary E
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 56(2018), 8 vom: 31. Aug., Seite 775-781
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
1 |
8 |
|g volume:56
|g year:2018
|g number:8
|g day:31
|g month:08
|g pages:775-781
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|u http://dx.doi.org/10.1002/mrc.4736
|3 Volltext
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