| SpectraBase Spectrum ID |
HqP3ZsGWGyv |
| Name |
10-Acetylphenothiazin-2-yl hydroxymethyl ketone, salicylate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.082743820 u |
| Formula |
C23H17NO5S |
| InChI |
InChI=1S/C23H17NO5S/c1-14(25)24-17-7-3-5-9-21(17)30-22-11-10-15(12-18(22)24)20(27)13-29-23(28)16-6-2-4-8-19(16)26/h2-12,26H,13H2,1H3 |
| InChIKey |
WSZABEZZRHEXBN-UHFFFAOYSA-N |
| Molecular Weight |
419.451 g/mol |
| SMILES |
OC1=C(C=CC=C1)C(=O)OCC(C1=CC=2N(C=3C=CC=CC3SC2C=C1)C(=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.895682 |
