| SpectraBase Spectrum ID |
7DZLuO71szo |
| Name |
Diethylmalonic acid, heptadecyl 2-isopropylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.417860279 u |
| Formula |
C33H56O4 |
| InChI |
InChI=1S/C33H56O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-36-31(34)33(7-2,8-3)32(35)37-30-26-23-22-25-29(30)28(4)5/h22-23,25-26,28H,6-21,24,27H2,1-5H3 |
| InChIKey |
JKQWUJVRSCIAIZ-UHFFFAOYSA-N |
| Molecular Weight |
516.807 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC |
