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isothiocyanic acid, propyl ester

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, and 7 MS (GC)

isothiocyanic acid, propyl ester
SpectraBase Compound ID EQBbkdkPiVx
InChI InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey KKASGUHLXWAKEZ-UHFFFAOYSA-N
Mol Weight 101.17 g/mol
Molecular Formula C4H7NS
Exact Mass 101.02992 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID L22MwXZscoB
Name Propyl isothiocyanate
Source of Sample Aldrich
Catalog Number 253944
CAS Registry Number 628-30-8
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 C4H7NS
InChI InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey KKASGUHLXWAKEZ-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_4918