| SpectraBase Spectrum ID |
IXdNZlAL1Yw |
| Name |
Diethylmalonic acid, 4-chloro-3-methylphenyl tetradecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.300637625 u |
| Formula |
C28H45ClO4 |
| InChI |
InChI=1S/C28H45ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-32-26(30)28(6-2,7-3)27(31)33-24-19-20-25(29)23(4)22-24/h19-20,22H,5-18,21H2,1-4H3 |
| InChIKey |
IAJWDGZSSLPUQW-UHFFFAOYSA-N |
| Molecular Weight |
481.117 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=CC(=C(C=C1)Cl)C)=O)CC |
