SpectraBase Spectrum ID |
EwBrnkdIj0z |
Name |
Diethylmalonic acid, 2-chloro-5-methylphenyl pentadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
494.316287689 u |
Formula |
C29H47ClO4 |
InChI |
InChI=1S/C29H47ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)29(6-2,7-3)28(32)34-26-23-24(4)20-21-25(26)30/h20-21,23H,5-19,22H2,1-4H3 |
InChIKey |
MOUJJJIKRXIHPS-UHFFFAOYSA-N |
Molecular Weight |
495.144 g/mol |
SMILES |
C(C(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC)C |