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Benzoyl isothiocyanate

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

Benzoyl isothiocyanate
SpectraBase Compound ID LGMXaNKysa0
InChI InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChIKey CPEKAXYCDKETEN-UHFFFAOYSA-N
Mol Weight 163.19 g/mol
Molecular Formula C8H5NOS
Exact Mass 163.009185 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BD9DR1vtLNp
Name Benzoyl isothiocyanate
Source of Sample Aldrich
Catalog Number 261653
CAS Registry Number 532-55-8
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 C8H5NOS
InChI InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChIKey CPEKAXYCDKETEN-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_5184