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4-(Methylthio)phenyl isocyanate

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

4-(Methylthio)phenyl isocyanate
SpectraBase Compound ID 3fOKNaXMunL
InChI InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey QNKQBDZVEKZFBN-UHFFFAOYSA-N
Mol Weight 165.21 g/mol
Molecular Formula C8H7NOS
Exact Mass 165.024835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9pg2AkLUAh
Name 1-Isocyanato-4-(methylsulfanyl)benzene
Alternate Name(s) 1-isocyanato-4-(methylthio)benzene Benzene, 1-isocyanato-4-(methylthio)- 1-isocyanato-4-methylsulfanylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NOS
InChI InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey QNKQBDZVEKZFBN-UHFFFAOYSA-N
Molecular Weight 165.210 g/mol
SMILES CSc1ccc(N=C=O)cc1
SPLASH splash10-014i-1900000000-7fe55530d015252f721e
Wiley ID 1449997