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BENZONITRILE, 4-[1-HYDROXY-4-(METHYLTHIO)-3-BUTENYL]-, (Z)-
SpectraBase Compound ID KpAnZXc9AnP
InChI InChI=1S/C12H13NOS/c1-15-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2,4-8,12,14H,3H2,1H3/b8-2-
InChIKey FHRSKJZVDRKHLR-WAPJZHGLSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFGqDBSsLWO
Name BENZONITRILE, 4-[1-HYDROXY-4-(METHYLTHIO)-3-BUTENYL]-, (Z)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c1-15-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2,4-8,12,14H,3H2,1H3/b8-2-
InChIKey FHRSKJZVDRKHLR-WAPJZHGLSA-N
Molecular Weight 219.0715
SMILES OC(C\C=C/SC)c1ccc(C#N)cc1
SPLASH splash10-000i-9200000000-3bef9dee6bf5ceebb68f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany