| SpectraBase Spectrum ID |
CczdRysHnQR |
| Name |
1,1-Cyclopropanedicarboxylic acid, 2-(1-ethenyl-1-propenyl)-, dimethyl ester, (E)- |
| 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/c1-5-8(6-2)9-7-12(9,10(13)15-3)11(14)16-4/h5-6,9H,1,7H2,2-4H3/b8-6+ |
| InChIKey |
VRNFRNSARQFPSG-SOFGYWHQSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C1(C(\C(C=C)=C\C)C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912049 |
