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ABQKHKWXTUVKGF-UHFFFAOYSA-N

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, 3 MS (GC), and 2 Near IR

ABQKHKWXTUVKGF-UHFFFAOYSA-N
SpectraBase Compound ID GX6qlFOAttf
InChI InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey ABQKHKWXTUVKGF-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jt12ngEfXXO
Name p-Tolyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 253715
CAS Registry Number 622-59-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey ABQKHKWXTUVKGF-UHFFFAOYSA-N
Molecular Weight 149.220 g/mol
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Methylphenyl isothiocyanate
Wiley ID SIAL_VP-FTIR_002474