| SpectraBase Spectrum ID |
FHZtEsDGiP2 |
| Name |
Diethylmalonic acid, 2,3-dimethylphenyl octadecyl 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/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-36-31(34)33(7-2,8-3)32(35)37-30-26-24-25-28(4)29(30)5/h24-26H,6-23,27H2,1-5H3 |
| InChIKey |
OBSBAGVOWWHCKG-UHFFFAOYSA-N |
| Molecular Weight |
516.807 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC |
