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1-Bromo-2-isothiocyanatobenzene

View entire compound with spectra: 2 NMR, 3 FTIR, and 2 Raman

1-Bromo-2-isothiocyanatobenzene
SpectraBase Compound ID J6hb7ndAKzk
InChI InChI=1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey PAFORXDSYWMYGP-UHFFFAOYSA-N
Mol Weight 214.08 g/mol
Molecular Formula C7H4BrNS
Exact Mass 212.924783 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D4VZzXwzKOJ
Name 2-Bromophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 253154
CAS Registry Number 13037-60-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4BrNS
InChI InChI=1S/C7H4BrNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey PAFORXDSYWMYGP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004407