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3-Chloro-8-methoxy-1-nitrophenothiazine

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

3-Chloro-8-methoxy-1-nitrophenothiazine
SpectraBase Compound ID KGrJBeTinEx
InChI InChI=1S/C13H9ClN2O3S/c1-19-8-2-3-11-9(6-8)15-13-10(16(17)18)4-7(14)5-12(13)20-11/h2-6,15H,1H3
InChIKey QNDDGVUBYKUQEU-UHFFFAOYSA-N
Mol Weight 308.74 g/mol
Molecular Formula C13H9ClN2O3S
Exact Mass 308.002241 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID APFvd9mpzlc
Name 3-Chloro-8-methoxy-1-nitrophenothiazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.002241029 u
Formula C13H9ClN2O3S
InChI InChI=1S/C13H9ClN2O3S/c1-19-8-2-3-11-9(6-8)15-13-10(16(17)18)4-7(14)5-12(13)20-11/h2-6,15H,1H3
InChIKey QNDDGVUBYKUQEU-UHFFFAOYSA-N
Molecular Weight 308.739 g/mol
SMILES C1=C(C=CC2=C1NC=1C(=CC(Cl)=CC1S2)N(=O)=O)OC
Spectrum/Structure Validation Score (Raman) 0.738954