| SpectraBase Spectrum ID |
7bNWB5zR57O |
| Name |
(E)-Acrylic acid, 3-(3-methoxycarbonyl-1-cyclohexen-4-yl)-, methyl 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/c1-15-11(13)8-7-9-5-3-4-6-10(9)12(14)16-2/h4,6-10H,3,5H2,1-2H3/b8-7+ |
| InChIKey |
BGOGZVISONLXKO-BQYQJAHWSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C(=O)(\C=C\C1CCC=CC1C(OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957065 |
