| SpectraBase Spectrum ID |
26ClCIu2P6m |
| Name |
Malonic acid, 2-heptyl tetradecyl 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/c1-4-6-8-9-10-11-12-13-14-15-16-18-20-27-23(25)21-24(26)28-22(3)19-17-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
BKFFKCYUPQNYAZ-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(OC(C)CCCCC)(CC(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839747 |
