| SpectraBase Spectrum ID |
AANw216QwDP |
| Name |
Diethylmalonic acid, 2-isopropoxyphenyl pentadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.381474769 u |
| Formula |
C31H52O5 |
| InChI |
InChI=1S/C31H52O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-22-25-34-29(32)31(7-2,8-3)30(33)36-28-24-21-20-23-27(28)35-26(4)5/h20-21,23-24,26H,6-19,22,25H2,1-5H3 |
| InChIKey |
RWEIMVQGXRPXHF-UHFFFAOYSA-N |
| Molecular Weight |
504.752 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC |
