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[2'-(Cyanothio)phenyl]acetic acid

View entire compound with spectra: 4 MS (GC)

[2'-(Cyanothio)phenyl]acetic acid
SpectraBase Compound ID DHPRNzfLkf6
InChI InChI=1S/C9H7NO2S/c10-6-13-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChIKey QNJGLRBOVZZNKV-UHFFFAOYSA-N
Mol Weight 193.22 g/mol
Molecular Formula C9H7NO2S
Exact Mass 193.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtPpRLc8NCY
Name [2'-(Cyanothio)phenyl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2S
InChI InChI=1S/C9H7NO2S/c10-6-13-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)
InChIKey QNJGLRBOVZZNKV-UHFFFAOYSA-N
Molecular Weight 193.220 g/mol
SMILES OC(Cc1c(SC#N)cccc1)=O
SPLASH splash10-0006-0900000000-e3ec9380da3ed6535881
Source of Spectrum D8-325-309-7
Synonyms [2'-(Thiocyano)phenyl]acetic acid [2-(cyanosulfanyl)phenyl]acetic acid
Wiley ID 1514413