| SpectraBase Spectrum ID |
9jY6xmcuwEz |
| Name |
Malonic acid, 3-heptyl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-29-25(27)23-26(28)30-24(6-3)21-8-5-2/h24H,4-23H2,1-3H3 |
| InChIKey |
SGLNEZQZHWVMPY-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(OC(CC)CCCC)(CC(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881394 |
