| SpectraBase Spectrum ID |
ICaXCGJ6DGz |
| Name |
Diethylmalonic acid, 2-chloro-5-methylphenyl hexadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.331937754 u |
| Formula |
C30H49ClO4 |
| InChI |
InChI=1S/C30H49ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-28(32)30(6-2,7-3)29(33)35-27-24-25(4)21-22-26(27)31/h21-22,24H,5-20,23H2,1-4H3 |
| InChIKey |
QPISCDKWAHVAOO-UHFFFAOYSA-N |
| Molecular Weight |
509.171 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC |
