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4-Amino-3-[(methylthio)methyl]benzonitrile

View entire compound with spectra: 1 MS (GC)

4-Amino-3-[(methylthio)methyl]benzonitrile
SpectraBase Compound ID 2baiA0uReHk
InChI InChI=1S/C9H10N2S/c1-12-6-8-4-7(5-10)2-3-9(8)11/h2-4H,6,11H2,1H3
InChIKey ZJJKIKSDOFFBIS-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C9H10N2S
Exact Mass 178.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JGQU3XjdLE
Name 4-Amino-3-[(methylthio)methyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2S
InChI InChI=1S/C9H10N2S/c1-12-6-8-4-7(5-10)2-3-9(8)11/h2-4H,6,11H2,1H3
InChIKey ZJJKIKSDOFFBIS-UHFFFAOYSA-N
Molecular Weight 178.253 g/mol
SMILES Nc1c(cc(C#N)cc1)CSC
SPLASH splash10-004i-0900000000-16081dba09ce80f33176
Source of Spectrum ASC-358-3649/SM6-6h
Synonyms 4-Amino-3-((methylthio)methyl)benzonitrile
Wiley ID 1803499