For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phenyl-m-tolylmethyl isocyanate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Phenyl-m-tolylmethyl isocyanate
SpectraBase Compound ID GkpXD5UCk1x
InChI InChI=1S/C15H13NO/c1-12-6-5-9-14(10-12)15(16-11-17)13-7-3-2-4-8-13/h2-10,15H,1H3
InChIKey DRLBAFIKGFUFJL-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C15H13NO
Exact Mass 223.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LFYyvHPV90f
Name Phenyl-m-tolylmethyl isocyanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.099714042 u
Formula C15H13NO
InChI InChI=1S/C15H13NO/c1-12-6-5-9-14(10-12)15(16-11-17)13-7-3-2-4-8-13/h2-10,15H,1H3
InChIKey DRLBAFIKGFUFJL-UHFFFAOYSA-N
Molecular Weight 223.275 g/mol
SMILES C(C=1C=C(C=CC1)C)(C=1C=CC=CC1)N=C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964239