| SpectraBase Spectrum ID |
5C2oZpewiU9 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-6-4-2/h12-13,19-20H,3-11,14-18H2,1-2H3 |
| InChIKey |
DZKCNYZTIPPNHY-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899213 |
