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Isocyanic acid, butyl ester

View entire compound with spectra: 7 NMR, 7 FTIR, and 4 MS (GC)

Isocyanic acid, butyl ester
SpectraBase Compound ID 67SVlQxZaPc
InChI InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey HNHVTXYLRVGMHD-UHFFFAOYSA-N
Mol Weight 99.13 g/mol
Molecular Formula C5H9NO
Exact Mass 99.068414 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GxBVBOfvAdO
Name Butyl isocyanate
Source of Sample Aldrich
Catalog Number B95736
CAS Registry Number 111-36-4
Classification Non-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 C5H9NO
InChI InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey HNHVTXYLRVGMHD-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_9041