| SpectraBase Spectrum ID |
Aj5qr84dHsd |
| Name |
2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-1-(2-propenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-4-7-13(12(15)16-5-2)8-6-11(14)9-10(13)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey |
SWMITAAMPPYCAF-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C1(C(=CC(CC1)=O)C)(C(=O)OCC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918087 |
