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o-Tolyl isocyanate

View entire compound with spectra: 4 NMR, 6 FTIR, 1 Raman, and 4 MS (GC)

o-Tolyl isocyanate
SpectraBase Compound ID 2IOO8goAzAU
InChI InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey VAYMIYBJLRRIFR-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C8H7NO
Exact Mass 133.052764 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DRyqLMnoda9
Name o-Tolyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T40703
CAS Registry Number 614-68-6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO
InChI 1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey VAYMIYBJLRRIFR-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Methylphenyl isocyanate
Wiley ID SIAL_13CNMR_012848