SpectraBase Compound ID | BB30ldZqP3B |
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InChI | InChI=1S/C14H11NO3S/c1-17-8-3-4-9-13(5-8)19-14-7-11(16)12(18-2)6-10(14)15-9/h3-7H,1-2H3 |
InChIKey | FOIBSEIKXGLOJE-UHFFFAOYSA-N |
Mol Weight | 273.31 g/mol |
Molecular Formula | C14H11NO3S |
Exact Mass | 273.045964 g/mol |
SpectraBase Spectrum ID | 1RedE698jYD |
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Name | 2,7-Dimethoxy-3H-phenothiazin-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 273.045964389 u |
Formula | C14H11NO3S |
InChI | InChI=1S/C14H11NO3S/c1-17-8-3-4-9-13(5-8)19-14-7-11(16)12(18-2)6-10(14)15-9/h3-7H,1-2H3 |
InChIKey | FOIBSEIKXGLOJE-UHFFFAOYSA-N |
SMILES | C=12C=CC(=CC1SC1=CC(C(=CC1=N2)OC)=O)OC |
Spectrum/Structure Validation Score (Raman) | 0.941592 |