| SpectraBase Spectrum ID |
Ix3QFsuze7e |
| Name |
3-Cyclopentene-1,1-dicarboxylic acid, 3-ethenyl-2-methyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-5-9-6-7-12(8(9)2,10(13)15-3)11(14)16-4/h5-6,8H,1,7H2,2-4H3 |
| InChIKey |
FQAVFJLDXHKEKS-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C1(C(C(C=C)=CC1)C)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955973 |
