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1,3-Dinitrophenothiazine

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 UV-Vis

1,3-Dinitrophenothiazine
SpectraBase Compound ID FiTCeNl4acu
InChI InChI=1S/C12H7N3O4S/c16-14(17)7-5-9(15(18)19)12-11(6-7)20-10-4-2-1-3-8(10)13-12/h1-6,13H
InChIKey FDPIPDVSDQSICI-UHFFFAOYSA-N
Mol Weight 289.26 g/mol
Molecular Formula C12H7N3O4S
Exact Mass 289.015727 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ETCodREbceA
Name 1,3-Dinitrophenothiazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.015726887 u
Formula C12H7N3O4S
InChI InChI=1S/C12H7N3O4S/c16-14(17)7-5-9(15(18)19)12-11(6-7)20-10-4-2-1-3-8(10)13-12/h1-6,13H
InChIKey FDPIPDVSDQSICI-UHFFFAOYSA-N
Molecular Weight 289.265 g/mol
SMILES N1C=2C=CC=CC2SC2=C1C(=CC(=C2)N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Raman) 0.975722