| SpectraBase Spectrum ID |
59xbUXcuh98 |
| Name |
Diethylmalonic acid, hexadecyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.449160408 u |
| Formula |
C31H60O4 |
| InChI |
InChI=1S/C31H60O4/c1-6-10-12-14-15-16-17-18-19-20-21-22-23-25-27-34-29(32)31(8-3,9-4)30(33)35-28(5)26-24-13-11-7-2/h28H,6-27H2,1-5H3 |
| InChIKey |
YDAFHIWZFTZKID-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90778 |
