| SpectraBase Spectrum ID |
80x3yw19Y0G |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl dodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.253687432 u |
| Formula |
C27H39ClO4 |
| InChI |
InChI=1S/C27H39ClO4/c1-3-4-5-6-7-8-9-10-11-14-19-31-26(29)23-15-12-13-16-24(23)27(30)32-22-17-18-25(28)21(2)20-22/h12-13,17-18,20,23-24H,3-11,14-16,19H2,1-2H3 |
| InChIKey |
PZGNDLBOCJAXHL-UHFFFAOYSA-N |
| Molecular Weight |
463.058 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCCCCCCCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl |
