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Methyl 2-isocyanatobenzoate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Methyl 2-isocyanatobenzoate
SpectraBase Compound ID 7URBU602Aaa
InChI 1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3
InChIKey ATFKBWNEVZUSKC-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C9H7NO3
Exact Mass 177.042593 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IWD8cTRGDaS
Name Methyl 2-isocyanatobenzoate
Source of Sample Aldrich
Catalog Number 439983
CAS Registry Number 1793-07-3
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 C9H7NO3
InChI InChI=1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3
InChIKey ATFKBWNEVZUSKC-UHFFFAOYSA-N
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Melt
Wiley ID SIAL_FTIR_1_8191