| SpectraBase Spectrum ID |
H7mzINDuBXQ |
| Name |
2-Cyclopentene-1,1-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/c1-18-13(16)15(14(17)19-2)10-6-9-12(15)11-7-4-3-5-8-11/h3-8,10,12H,9H2,1-2H3 |
| InChIKey |
ZUSOVHNWMIXJOD-UHFFFAOYSA-N |
| Molecular Weight |
260.289 g/mol |
| SMILES |
C=1CC(C2=CC=CC=C2)C(C1)(C(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866234 |
