| SpectraBase Spectrum ID |
2qStEEza2wc |
| Name |
3-Phenyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.139530423 u |
| Formula |
C22H24O4S |
| InChI |
InChI=1S/C22H24O4S/c1-25-20(23)22(21(24)26-2)13-17(15-27-18-11-7-4-8-12-18)19(14-22)16-9-5-3-6-10-16/h3-12,17,19H,13-15H2,1-2H3 |
| InChIKey |
WXJHBOQOVTWDQC-UHFFFAOYSA-N |
| Molecular Weight |
384.490 g/mol |
| SMILES |
C1(CC(C(C1)CSC=1C=CC=CC1)C=1C=CC=CC1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930225 |
