| SpectraBase Spectrum ID |
G9R3b0ZUEqg |
| Name |
Diethylmalonic acid, 2-hexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-6-10-12-13-14-15-16-17-18-20-27-22(25)24(8-3,9-4)23(26)28-21(5)19-11-7-2/h21H,6-20H2,1-5H3 |
| InChIKey |
JBUDSZBPLIBJNM-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862022 |
