| SpectraBase Spectrum ID |
Esf52p2Q6M4 |
| Name |
Adipic acid, 2-octyl pentyl 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/c1-4-6-8-9-13-17(3)23-19(21)15-11-10-14-18(20)22-16-12-7-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
KEGJJXXIXSANGQ-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OC(=O)CCCCC(OCCCCC)=O)(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899135 |
