| SpectraBase Spectrum ID |
Bye86dCAGr4 |
| Name |
4-Thiomorpholinecarbodithioic acid, 5-acetyl-2-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.057792376 u |
| Formula |
C15H19NO2S3 |
| InChI |
InChI=1S/C15H19NO2S3/c1-11(17)12-3-4-14(18-2)13(9-12)10-21-15(19)16-5-7-20-8-6-16/h3-4,9H,5-8,10H2,1-2H3 |
| InChIKey |
YAWHVJTTZYDMLQ-UHFFFAOYSA-N |
| Molecular Weight |
341.502 g/mol |
| SMILES |
C=1C(=C(C=CC1C(C)=O)OC)CSC(N1CCSCC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.883468 |
