| SpectraBase Spectrum ID |
9RyGVf6mrBs |
| Name |
(2R,3R)-4,6-Diphenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.108230294 u |
| Formula |
C21H20O4S |
| InChI |
InChI=1S/C21H20O4S/c1-24-20(22)18-16(14-9-5-3-6-10-14)13-17(15-11-7-4-8-12-15)26-19(18)21(23)25-2/h3-13,16,18-19H,1-2H3/t16?,18-,19+/m0/s1 |
| InChIKey |
FJGUDTDJPJPXKJ-NGFYBIIMSA-N |
| Molecular Weight |
368.447 g/mol |
| SMILES |
[C@@]1([C@@](SC(=CC1C=1C=CC=CC1)C1=CC=CC=C1)(C(=O)OC)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875733 |
