| SpectraBase Spectrum ID |
4DcgZUXMlte |
| Name |
3-Cyclopentene-1,1-dicarboxylic acid, 3,5-dimethyl-2-(methylthio)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.123880358 u |
| Formula |
C14H22O4S |
| InChI |
InChI=1S/C14H22O4S/c1-6-17-12(15)14(13(16)18-7-2)10(4)8-9(3)11(14)19-5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m1/s1 |
| InChIKey |
BMOQXQFYYSBSGX-MNOVXSKESA-N |
| SMILES |
C1([C@@](C=C([C@@]1(SC)[H])C)(C)[H])(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974746 |
