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1-cyano-4-methylthiobut-3-ene
SpectraBase Compound ID IW9QRnE3F5C
InChI InChI=1S/C6H9NS/c1-8-6-4-2-3-5-7/h4,6H,2-3H2,1H3
InChIKey OWIAEUGCTJNBCJ-UHFFFAOYSA-N
Mol Weight 127.2 g/mol
Molecular Formula C6H9NS
Exact Mass 127.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NKVNqHXrE
Name 1-cyano-4-methylthiobut-3-ene
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 127.045570468 u
Formula C6H9NS
InChI InChI=1S/C6H9NS/c1-8-6-4-2-3-5-7/h4,6H,2-3H2,1H3
InChIKey OWIAEUGCTJNBCJ-UHFFFAOYSA-N
Instrument Name AEI MS-902
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740310606
Molecular Weight 127.205 g/mol
Number of Peaks 10
SMILES C(SC)=CCCC#N
SPLASH splash10-007a-9100000000-46d6124ec43f4ae83131
Source of Spectrum SFA-31-551-9 (DOI: 10.1002/jsfa.2740310606)
Wiley ID 1856623