| SpectraBase Spectrum ID |
AubkIGFa2Ya |
| Name |
Acrylic acid, 3-(1-methoxycarbonylpropyl)-cyclopropyl-, methyl ester, trans |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-15-10(13)4-3-6-12(8-9-12)7-5-11(14)16-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+ |
| InChIKey |
HAWRRPNHVBTIER-FNORWQNLSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
COC(=O)CCCC1(CC1)\C=C\C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93601 |
