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3-METHYLBENZOYL ISOTHIOCYANATE

View entire compound with spectra: 1 NMR

3-METHYLBENZOYL ISOTHIOCYANATE
SpectraBase Compound ID KayPYK709cZ
InChI InChI=1S/C9H7NOS/c1-7-3-2-4-8(5-7)9(11)10-6-12/h2-5H,1H3
InChIKey DXKOLJYVHYILGA-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C9H7NOS
Exact Mass 177.024835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 825fDILcxVT
Name 3-METHYLBENZOYL ISOTHIOCYANATE
Comments 9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H7NOS
InChI InChI=1S/C9H7NOS/c1-7-3-2-4-8(5-7)9(11)10-6-12/h2-5H,1H3
InChIKey DXKOLJYVHYILGA-UHFFFAOYSA-N
Instrument Name Tesla BS567A
Literature Reference I.DANIHEL, J.IMRICH, D.KOSCIK, P.KRISTIAN, G.BARANCIKOVA (1985)Coll.Czech.Chem.Comm.: v.50, N6, 1422-1431.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d