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6-bromo-3H-1,3-benzothiazol-2-one

View entire compound with spectra: 4 NMR, and 1 FTIR

6-bromo-3H-1,3-benzothiazol-2-one
SpectraBase Compound ID 3kEdFLyZtW3
InChI InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey HECJMTPEVWQFCY-UHFFFAOYSA-N
Mol Weight 230.08 g/mol
Molecular Formula C7H4BrNOS
Exact Mass 228.919698 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rrQvjOzrbU
Name 6-Bromo-2-benzothiazolinone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 441910
CAS Registry Number 62266-82-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4BrNOS
InChI InChI=1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey HECJMTPEVWQFCY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009721