| SpectraBase Spectrum ID |
CT4v43NBxv0 |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.496110601 u |
| Formula |
C34H66O4 |
| InChI |
InChI=1S/C34H66O4/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-37-32(35)34(8-2,9-3)33(36)38-29-27-31(6)26-24-25-30(4)5/h30-31H,7-29H2,1-6H3 |
| InChIKey |
XNTPIYMDLMXXQD-UHFFFAOYSA-N |
| Molecular Weight |
538.898 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865462 |
