| SpectraBase Spectrum ID |
1rRBDkzhMTY |
| Name |
5-(1-Cyclohex-2-enyl)-5-oxopentanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h4,7,11H,2-3,5-6,8-10H2,1H3 |
| InChIKey |
XCIMHMYZZIOLTB-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C(=O)(OCC)CCCC(=O)C1C=CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974437 |
