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4-(tert-Butylthio)benzonitrile

View entire compound with spectra: 2 MS (GC)

4-(tert-Butylthio)benzonitrile
SpectraBase Compound ID C43okoIL3yz
InChI InChI=1S/C11H13NS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChIKey CJZBMYCTJNARBE-UHFFFAOYSA-N
Mol Weight 191.29 g/mol
Molecular Formula C11H13NS
Exact Mass 191.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AmO2LGEpuq
Name 4-(tert-butylsulfanyl)benzonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NS
InChI InChI=1S/C11H13NS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChIKey CJZBMYCTJNARBE-UHFFFAOYSA-N
Molecular Weight 191.292 g/mol
SMILES C(#N)c1ccc(SC(C)(C)C)cc1
SPLASH splash10-001i-0900000000-2dc0633d355e44b62b8c
Source of Spectrum J-61-934-2
Synonyms 4-(tert-butylthio)benzonitrile 4-tert-butylsulfanylbenzenecarbonitrile
Wiley ID 1187599