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

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

6-nitro-3H-1,3-benzothiazol-2-one
SpectraBase Compound ID 3gvp71asz5y
InChI InChI=1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChIKey QITPMSSAFSZYOP-UHFFFAOYSA-N
Mol Weight 196.18 g/mol
Molecular Formula C7H4N2O3S
Exact Mass 195.994263 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7DblnlEYDdw
Name 6-Nitro-2-benzothiazolinone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 441929
CAS Registry Number 28620-12-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O3S
InChI 1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChIKey QITPMSSAFSZYOP-UHFFFAOYSA-N
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009722