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7-Bromo-1,3-dinitrophenothiazine, 5-oxide

View entire compound with spectra: 1 FTIR, and 1 Raman

7-Bromo-1,3-dinitrophenothiazine, 5-oxide
SpectraBase Compound ID ApHShJlKsTP
InChI InChI=1S/C12H6BrN3O5S/c13-6-1-2-8-10(3-6)22(21)11-5-7(15(17)18)4-9(16(19)20)12(11)14-8/h1-5,14H
InChIKey PHTBEXKVQUZPNB-UHFFFAOYSA-N
Mol Weight 384.16 g/mol
Molecular Formula C12H6BrN3O5S
Exact Mass 382.921154 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GLK2ZPWc0Sj
Name 7-Bromo-1,3-dinitrophenothiazine, 5-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.921154474 u
Formula C12H6BrN3O5S
InChI InChI=1S/C12H6BrN3O5S/c13-6-1-2-8-10(3-6)22(21)11-5-7(15(17)18)4-9(16(19)20)12(11)14-8/h1-5,14H
InChIKey PHTBEXKVQUZPNB-UHFFFAOYSA-N
Molecular Weight 384.160 g/mol
SMILES C1=CC(Br)=CC2=C1NC=1C(=CC(=CC1S2=O)N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.96047