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5-Methyl-3-n-propyl-2-[E-(1,2,3,3-tetradeuterio)but-1-enyl]pyrazine
SpectraBase Compound ID GOmi590BXSi
InChI InChI=1S/C12H18N2/c1-4-6-8-11-12(7-5-2)14-10(3)9-13-11/h6,8-9H,4-5,7H2,1-3H3/b8-6+/i4D2,6D,8D
InChIKey UPKIMGOPDMQHEI-WPODPAKRSA-N
Mol Weight 194.31 g/mol
Molecular Formula C12H142D4N2
Exact Mass 194.172106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2q7ENlmMqh
Name 5-Methyl-3-n-propyl-2-[E-(1,2,3,3-tetradeuterio)but-1-enyl]pyrazine
CAS Registry Number 83568-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14D4N2
InChI InChI=1S/C12H18N2/c1-4-6-8-11-12(7-5-2)14-10(3)9-13-11/h6,8-9H,4-5,7H2,1-3H3/b8-6+/i4D2,6D,8D
InChIKey UPKIMGOPDMQHEI-WPODPAKRSA-N
Molecular Weight 194.314 g/mol
SMILES c1(nc(cnc1\C(=C\(C(C)([2D])[2D])[2D])[2D])C)CCC
SPLASH splash10-003i-6900000000-7973c7570e4421c90377
Source of Spectrum O-24-611-2
Synonyms 5-Methyl-3-n-propyl-2-[Z-(1,2,3,3-tetradeuterio)but-1-enyl]pyrazine 5-Methyl-3-n-propyl-2-(e-but-1-enyl)pyrazine, tetradeutero- 5-Methyl-3-n-propyl-2-(Z)-but-1-enylpyrazine, D4- 5-Methyl-3-n-propyl-2-(Z)-but-1-enylpyrazine, tetradeutero- 5-Methyl-3-n-propyl-2-[e-(1,2,3,3-tetradeuterio)but-1-enyl]pyrazine, D4- 5-Methyl-3-n-propyl-2-[z-(1,2,3,3-tetradeuterio)but-1-enyl]pyrazine, tetradeutero- Pyrazine, 2-(1-butenyl)-5-methyl-3-propyl-, (E)- Pyrazine, 2-(1-butenyl)-5-methyl-3-propyl-, (E)-, tetradeutero-
Wiley ID 1186879