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Phenylisothiocyanate
SpectraBase Compound ID G3PhJzMRLGe
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xkORZhNdTU
Name Phenyl isothiocyanate
CAS Registry Number 103-72-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H5NS
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference M. Feigel, H. Kessler, Chem. Ber. 111, 2947 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3