| SpectraBase Spectrum ID |
53NQohskjWT |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.370910086 u |
| Formula |
C28H50O4 |
| InChI |
InChI=1S/C28H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(5-2)6-3/h17-18,24-26H,4-16,19-23H2,1-3H3 |
| InChIKey |
ROZHNNXNTQKBOR-UHFFFAOYSA-N |
| Molecular Weight |
450.704 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852932 |
