| SpectraBase Spectrum ID |
9eehQGntn9m |
| Name |
3-Cyclopentene-1,1-dicarboxylic acid, 3-(1-methylethenyl)-, 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/c1-8(2)9-5-6-12(7-9,10(13)15-3)11(14)16-4/h5H,1,6-7H2,2-4H3 |
| InChIKey |
FQFAJIGNGZUVML-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C1(CC(C(=C)C)=CC1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825064 |
