SpectraBase Compound ID | J51S25TwtT1 |
---|---|
InChI | InChI=1S/C15H13NO3S/c1-3-19-10-4-5-11-13(8-10)20-14-7-9(17)6-12(18-2)15(14)16-11/h4-8H,3H2,1-2H3 |
InChIKey | LNHZEFZWTOGOBM-UHFFFAOYSA-N |
Mol Weight | 287.33 g/mol |
Molecular Formula | C15H13NO3S |
Exact Mass | 287.061614 g/mol |
SpectraBase Spectrum ID | Kox9x8YLDmW |
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Name | 7-Ethoxy-1-methoxy-3H-phenothiazin-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 287.061614454 u |
Formula | C15H13NO3S |
InChI | InChI=1S/C15H13NO3S/c1-3-19-10-4-5-11-13(8-10)20-14-7-9(17)6-12(18-2)15(14)16-11/h4-8H,3H2,1-2H3 |
InChIKey | LNHZEFZWTOGOBM-UHFFFAOYSA-N |
SMILES | C1=CC(=CC2=C1N=C1C(=CC(=O)C=C1S2)OC)OCC |
Spectrum/Structure Validation Score (Raman) | 0.743519 |