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isothiocyanic acid, m-tolyl ester

View entire compound with spectra: 5 NMR, 4 FTIR, 2 MS (GC), and 2 Near IR

isothiocyanic acid, m-tolyl ester
SpectraBase Compound ID 28vFIXkZhyX
InChI InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey BDPQUWSFKCFOST-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 28djvbNWk82
Name m-Tolyl isothiocyanate
Source of Sample Aldrich
Catalog Number 318264
CAS Registry Number 621-30-7
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 C8H7NS
InChI InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey BDPQUWSFKCFOST-UHFFFAOYSA-N
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_6632