| SpectraBase Spectrum ID |
F3fjRyEYax5 |
| Name |
2-Cyclohexene-1-carboxylic acid, 2-butyl-4-oxo-, 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/c1-3-5-6-10-9-11(14)7-8-12(10)13(15)16-4-2/h9,12H,3-8H2,1-2H3 |
| InChIKey |
BCUKQEHUPIYOKF-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C=1(C(C(=O)OCC)CCC(C1)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895481 |
