| SpectraBase Spectrum ID |
54IkI4B5TZz |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl tridecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.417860279 u |
| Formula |
C31H56O4 |
| InChI |
InChI=1S/C31H56O4/c1-3-5-7-9-11-13-14-15-17-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-18-16-12-10-8-6-4-2/h20-21,28-29H,3-19,22-27H2,1-2H3 |
| InChIKey |
MIQIQPAGPCPJAC-UHFFFAOYSA-N |
| Molecular Weight |
492.785 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCCCCC)=O)C(=O)OCCCCCCCCCC |
