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2-(2'-Formylpropylthio)-benzonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(2'-Formylpropylthio)-benzonitrile
SpectraBase Compound ID CUAz951yYpn
InChI InChI=1S/C11H11NOS/c1-9(7-13)8-14-11-5-3-2-4-10(11)6-12/h2-5,7,9H,8H2,1H3
InChIKey PSSYITBQYRMZDJ-UHFFFAOYSA-N
Mol Weight 205.27 g/mol
Molecular Formula C11H11NOS
Exact Mass 205.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcRY0p9TQYX
Name 2-(2-Methyl-3-oxidanylidene-propyl)sulfanylbenzenecarbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NOS
InChI InChI=1S/C11H11NOS/c1-9(7-13)8-14-11-5-3-2-4-10(11)6-12/h2-5,7,9H,8H2,1H3
InChIKey PSSYITBQYRMZDJ-UHFFFAOYSA-N
Molecular Weight 205.275 g/mol
SMILES C(#N)c1c(SCC(C=O)C)cccc1
SPLASH splash10-000i-2900000000-86cc3c0598a9def22465
Source of Spectrum JA-50-807-0
Synonyms 2-[(2-methyl-3-oxopropyl)thio]benzonitrile 2-[(3-keto-2-methyl-propyl)thio]benzonitrile 2-(2-Methyl-3-oxopropyl)sulfanylbenzonitrile
Wiley ID 1203322