SpectraBase Spectrum ID |
H485DjBJL1i |
Name |
Diethylmalonic acid, 2-chlorophenyl tetradecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
466.284987561 u |
Formula |
C27H43ClO4 |
InChI |
InChI=1S/C27H43ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-31-25(29)27(5-2,6-3)26(30)32-24-21-18-17-20-23(24)28/h17-18,20-21H,4-16,19,22H2,1-3H3 |
InChIKey |
VIVOIQNKDORXNG-UHFFFAOYSA-N |
Molecular Weight |
467.090 g/mol |
SMILES |
CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC |