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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gp4sf614J8
Name 4-Methyl-phenylisothiocyanate
CAS Registry Number 622-59-3
Comments C7 SHIFT MEASURED AT HIGHER CONCENTRATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-60
Literature Reference R.G. Jones, G. Allen, Org. Magn. Resonance 19, 196 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3