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7-Bromo-2-methoxyphenothiazin-3-ol

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

7-Bromo-2-methoxyphenothiazin-3-ol
SpectraBase Compound ID 4ZHyQITtooH
InChI InChI=1S/C13H10BrNO2S/c1-17-11-5-9-13(6-10(11)16)18-12-4-7(14)2-3-8(12)15-9/h2-6,15-16H,1H3
InChIKey CSPDQAKZYSWYBF-UHFFFAOYSA-N
Mol Weight 324.19 g/mol
Molecular Formula C13H10BrNO2S
Exact Mass 322.961563 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3otmTggtN0f
Name 7-Bromo-2-methoxyphenothiazin-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.961562738 u
Formula C13H10BrNO2S
InChI InChI=1S/C13H10BrNO2S/c1-17-11-5-9-13(6-10(11)16)18-12-4-7(14)2-3-8(12)15-9/h2-6,15-16H,1H3
InChIKey CSPDQAKZYSWYBF-UHFFFAOYSA-N
Molecular Weight 324.192 g/mol
SMILES OC=1C(=CC=2NC=3C=CC(Br)=CC3SC2C1)OC
Spectrum/Structure Validation Score (Raman) 0.854663