| SpectraBase Spectrum ID |
Ggr9KSi5xAv |
| Name |
Diethylmalonic acid, 4-chloro-3-methylphenyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.191087174 u |
| Formula |
C21H31ClO4 |
| InChI |
InChI=1S/C21H31ClO4/c1-5-8-9-10-11-14-25-19(23)21(6-2,7-3)20(24)26-17-12-13-18(22)16(4)15-17/h12-13,15H,5-11,14H2,1-4H3 |
| InChIKey |
XKPVVNKJBQMMOG-UHFFFAOYSA-N |
| Molecular Weight |
382.928 g/mol |
| SMILES |
C(C(C(OCCCCCCC)=O)(C(OC1=CC(=C(C=C1)Cl)C)=O)CC)C |
