| SpectraBase Spectrum ID |
64EYfyCkYvA |
| Name |
Cyclopropanepropanoic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, methyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-13(2)9(5-7-11(14)16-3)10(13)6-8-12(15)17-4/h5,7,9-10H,6,8H2,1-4H3/b7-5- |
| InChIKey |
WPLQFLMQFHUPLH-ALCCZGGFSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
COC(=O)CCC1C(C1(C)C)\C=C/C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981073 |
