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3-(Ethoxycarbonyl)phenyl isocyanate

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

3-(Ethoxycarbonyl)phenyl isocyanate
SpectraBase Compound ID JUZPSwU68Yx
InChI InChI=1S/C10H9NO3/c1-2-14-10(13)8-4-3-5-9(6-8)11-7-12/h3-6H,2H2,1H3
InChIKey UPXGGIRFDZENRD-UHFFFAOYSA-N
Mol Weight 191.19 g/mol
Molecular Formula C10H9NO3
Exact Mass 191.058243 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1zYwqO7XhKu
Name Ethyl 3-isocyanatobenzoate
Source of Sample Aldrich
Catalog Number 440000
CAS Registry Number 67531-68-4
Classification Aromatic nitriles & cumulated double bonds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO3
InChI InChI=1S/C10H9NO3/c1-2-14-10(13)8-4-3-5-9(6-8)11-7-12/h3-6H,2H2,1H3
InChIKey UPXGGIRFDZENRD-UHFFFAOYSA-N
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_8192