| SpectraBase Spectrum ID |
K4Jp1GK15RV |
| Name |
Dimethyl 2,2-diphenylthiolane-3,4-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.108230294 u |
| Formula |
C20H20O4S |
| InChI |
InChI=1S/C20H20O4S/c1-23-18(21)16-13-25-20(17(16)19(22)24-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3 |
| InChIKey |
FQKPMGHBZLPZRL-UHFFFAOYSA-N |
| Molecular Weight |
356.436 g/mol |
| SMILES |
C1(C(SCC1C(=O)OC)(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946206 |
