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Benzylisocyanate

View entire compound with spectra: 3 NMR, 5 FTIR, 2 Raman, and 3 MS (GC)

Benzylisocyanate
SpectraBase Compound ID 7bkMhpGVlt
InChI InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey YDNLNVZZTACNJX-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 9ZcLZcfMUxn
Name Benzyl isocyanate
Source of Sample Aldrich
Catalog Number 227269
CAS Registry Number 3173-56-6
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO
InChI InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey YDNLNVZZTACNJX-UHFFFAOYSA-N
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_3832