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1-Bromo-2-chloro-4-isothiocyanatobenzene
SpectraBase Compound ID G59wMYdaWGW
InChI InChI=1S/C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey NYJNWHXQEZOISL-UHFFFAOYSA-N
Mol Weight 248.52 g/mol
Molecular Formula C7H3BrClNS
Exact Mass 246.885811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3VyqoZ8Ils
Name 1-Bromo-2-chloro-4-isothiocyanatobenzene
Appearance Brown liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3BrClNS
InChI InChI=1S/C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey NYJNWHXQEZOISL-UHFFFAOYSA-N
Instrument Name Agilent 7820A-5975 series MSD or Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.202004321
Molecular Weight 248.525 g/mol
SMILES c1(ccc(cc1Cl)N=C=S)Br
SPLASH splash10-0002-1190000000-51723819de89aa0edb99
Source of Spectrum ACI-59-SM28-28-1
Wiley ID 1858107