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Methallyl isothiocyanate

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

Methallyl isothiocyanate
SpectraBase Compound ID 7atVZ26sGgx
InChI InChI=1S/C5H7NS/c1-5(2)3-6-4-7/h1,3H2,2H3
InChIKey SFCQVEDGNZVACI-UHFFFAOYSA-N
Mol Weight 113.18 g/mol
Molecular Formula C5H7NS
Exact Mass 113.02992 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KTaSgbnVZuX
Name Methallyl isothiocyanate
Source of Sample Aldrich
Catalog Number 349844
CAS Registry Number 41834-90-6
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 C5H7NS
InChI InChI=1S/C5H7NS/c1-5(2)3-6-4-7/h1,3H2,2H3
InChIKey SFCQVEDGNZVACI-UHFFFAOYSA-N
Purity 95%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_7188