| SpectraBase Spectrum ID |
7ReQCdWS3kx |
| Name |
Malonic acid, 3-heptyl tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-4-7-9-10-11-12-13-14-15-16-17-19-26-22(24)20-23(25)27-21(6-3)18-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
KATHRNBHJXJIPU-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(OC(CC)CCCC)(CC(OCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832579 |
