| SpectraBase Spectrum ID |
7aBKFezKnOd |
| Name |
Dimethylmalonic acid, hexadecyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.417860279 u |
| Formula |
C29H56O4 |
| InChI |
InChI=1S/C29H56O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)29(4,5)28(31)33-26(23-8-3)24-10-7-2/h26H,6-25H2,1-5H3 |
| InChIKey |
QJICPZQJSTZTHS-UHFFFAOYSA-N |
| Molecular Weight |
468.763 g/mol |
| SMILES |
CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935283 |
