| SpectraBase Spectrum ID |
GnFOO6lp7RD |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl tridecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.370910086 u |
| Formula |
C28H50O4 |
| InChI |
InChI=1S/C28H50O4/c1-3-5-7-9-10-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3 |
| InChIKey |
ILNHVAYEBKHFKK-UHFFFAOYSA-N |
| Molecular Weight |
450.704 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCCCCC)=O)C(=O)OCCCCCCC |
