| SpectraBase Spectrum ID |
HEgKFOfNVxN |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.183109313 u |
| Formula |
C16H26O4 |
| InChI |
InChI=1S/C16H26O4/c1-4-12(5-2)11-20-16(18)14-10-8-7-9-13(14)15(17)19-6-3/h7-8,12-14H,4-6,9-11H2,1-3H3 |
| InChIKey |
UNRCMOQMXSQDKE-UHFFFAOYSA-N |
| SMILES |
C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982297 |
