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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GasU0lhKIx4
Name isocyanic acid, m-tolyl ester
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
CAS Registry Number 621-29-4
Copyright Copyright © 2009-2024 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
Instrument Name Varian A-60
Optical Properties Index of Refraction= (20C) 1.5305
Sadtler NMR Number 7365M
Solvent CCl4
Synonyms M-TOLYL ISOCYANATE