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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AhKgoh4irXb
Name 4-(Methylthio)phenyl isocyanate
Source of Sample Aldrich
Catalog Number 415960
CAS Registry Number 1632-84-4
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_7979