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m-Tolyl isocyanate

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, and 6 MS (GC)

m-Tolyl isocyanate
SpectraBase Compound ID DnMxXmukoFN
InChI InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey CPPGZWWUPFWALU-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C8H7NO
Exact Mass 133.052764 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DSqfaf2IVed
Name m-Tolyl isocyanate
Source of Sample Aldrich
Catalog Number 143626
CAS Registry Number 621-29-4
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 C8H7NO
InChI InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey CPPGZWWUPFWALU-UHFFFAOYSA-N
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Methylphenyl isocyanate
Technique Neat
Wiley ID SIAL_FTIR_1_1293