| SpectraBase Spectrum ID |
1bRvoApy4Az |
| Name |
2-Methoxy-8-(trifluoromethyl)phenothiazin-3-ol, acetate (ester), 5-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.043913529 u |
| Formula |
C16H12F3NO4S |
| InChI |
InChI=1S/C16H12F3NO4S/c1-8(21)24-13-7-15-11(6-12(13)23-2)20-10-5-9(16(17,18)19)3-4-14(10)25(15)22/h3-7,20H,1-2H3 |
| InChIKey |
BMRFUEDTAIJQBU-UHFFFAOYSA-N |
| Molecular Weight |
371.330 g/mol |
| SMILES |
C1=C(C=CC2=C1NC=1C=C(C(=CC1S2=O)OC(C)=O)OC)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.826999 |
