| SpectraBase Spectrum ID |
DNjSeB2rEOL |
| Name |
Diethylmalonic acid, 2-chloro-5-methylphenyl dodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.269337496 u |
| Formula |
C26H41ClO4 |
| InChI |
InChI=1S/C26H41ClO4/c1-5-8-9-10-11-12-13-14-15-16-19-30-24(28)26(6-2,7-3)25(29)31-23-20-21(4)17-18-22(23)27/h17-18,20H,5-16,19H2,1-4H3 |
| InChIKey |
LPBPRHWFFBWBLY-UHFFFAOYSA-N |
| Molecular Weight |
453.063 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC |
