| SpectraBase Spectrum ID |
8l33UTzt1CL |
| Name |
o-Ethyl S-(4-methoxyphenylacyl) thiocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.061280101 u |
| Formula |
C12H14O4S |
| InChI |
InChI=1S/C12H14O4S/c1-3-16-12(14)17-8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3 |
| InChIKey |
SABHFVXDKFDQPI-UHFFFAOYSA-N |
| Molecular Weight |
254.300 g/mol |
| SMILES |
C(SCC(C=1C=CC(=CC1)OC)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902332 |
