| SpectraBase Spectrum ID |
KngPkXKe4F0 |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl octadecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)26-23-20-19-22-25(26)27(29)31-4-2/h19-20,25-26H,3-18,21-24H2,1-2H3 |
| InChIKey |
YXJWBNGKHSCQFR-UHFFFAOYSA-N |
| Molecular Weight |
450.704 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCCCCCCCCCC)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945234 |
