| SpectraBase Spectrum ID |
HmSe4fwWZvJ |
| Name |
4-Morpholinecarbodithioic acid, 3,4,5-trimethoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.091200504 u |
| Formula |
C15H21NO4S2 |
| InChI |
InChI=1S/C15H21NO4S2/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-22-15(21)16-4-6-20-7-5-16/h8-9H,4-7,10H2,1-3H3 |
| InChIKey |
PCRMXXNQDHONJS-UHFFFAOYSA-N |
| Molecular Weight |
343.456 g/mol |
| SMILES |
C=1C(=CC(=C(C1OC)OC)OC)CSC(N1CCOCC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.950392 |
