| SpectraBase Spectrum ID |
Hl405jJTEph |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-ethylhexyl 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/c1-4-7-9-10-11-12-13-14-15-18-22-31-27(29)25-20-16-17-21-26(25)28(30)32-23-24(6-3)19-8-5-2/h16-17,24-26H,4-15,18-23H2,1-3H3 |
| InChIKey |
KUWQZPAVOPISBB-UHFFFAOYSA-N |
| Molecular Weight |
450.704 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963526 |
