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Benzyl thiocyanate

View entire compound with spectra: 4 NMR, 3 FTIR, and 6 MS (GC)

Benzyl thiocyanate
SpectraBase Compound ID 56OqEZ7okuJ
InChI InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ABNDFSOIUFLJAH-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dcecq04ooiP
Name thiocyanic acid, benzyl ester
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
CAS Registry Number 3012-37-1
Color Properties Color= ORANGE-RED
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ABNDFSOIUFLJAH-UHFFFAOYSA-N
Instrument Name Varian A-60
RTECS Number XK8155000
Sadtler NMR Number 2055M
Solvent CDCl3
Synonyms THIOCYANIC ACID, PHENYLMETHYL ESTER BENZYL THIOCYANATE BENZYL THIOCYANATE THIOCYANIC ACID, BENZYL ESTER alpha-THIOCYANATOTOLUENE