| SpectraBase Spectrum ID |
4DjF5UYsBxH |
| Name |
2C-T-2-m (o-Demethyl-) 3ac P1226 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.129694014 u |
| Formula |
C17H23NO5S |
| InChI |
InChI=1S/C17H23NO5S/c1-6-24-17-10-15(22-5)14(9-16(17)23-13(4)21)7-8-18(11(2)19)12(3)20/h9-10H,6-8H2,1-5H3 |
| InChIKey |
KHIRDZNWUILWPW-UHFFFAOYSA-N |
| Molecular Weight |
353.433 g/mol |
| SMILES |
C=1(C=C(C(=CC1SCC)OC)CCN(C(C)=O)C(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887346 |
