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XQACWEBGSZBLRG-UHFFFAOYSA-N
SpectraBase Compound ID JX1Nx7GP4jh
InChI InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey XQACWEBGSZBLRG-UHFFFAOYSA-N
Mol Weight 214.08 g/mol
Molecular Formula C7H4BrNS
Exact Mass 212.924783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq3WYqOnZZw
Name 4-Bromo-phenylisothiocyanate
CAS Registry Number 1985-12-2
Comments C7 SHIFT MEASURED AT HIGHER CONCENTRATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4BrNS
InChI InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey XQACWEBGSZBLRG-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