| SpectraBase Spectrum ID |
1lMrEObhWqy |
| Name |
3-Cyclopentene-1,2-dicarboxylic acid, 5-phenyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.104858991 u |
| Formula |
C15H16O4 |
| InChI |
InChI=1S/C15H16O4/c1-18-14(16)12-9-8-11(13(12)15(17)19-2)10-6-4-3-5-7-10/h3-9,11-13H,1-2H3 |
| InChIKey |
YJESDRLGNCLPBY-UHFFFAOYSA-N |
| Molecular Weight |
260.289 g/mol |
| SMILES |
C1(C(C(C(OC)=O)C=C1)C(=O)OC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874434 |
