| SpectraBase Spectrum ID |
EY2DG96x5av |
| Name |
Malonic acid, 3-heptyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-4-7-9-10-11-12-13-15-22-18(20)16-19(21)23-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
QTZLHVNSKHMBES-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OC(CC)CCCC)(CC(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89547 |
