| SpectraBase Spectrum ID |
Kb8ITrImZEx |
| Name |
Adipic acid, isohexyl 5-methoxy-3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.256274254 u |
| Formula |
C19H36O5 |
| InChI |
InChI=1S/C19H36O5/c1-16(2)8-7-13-23-18(20)9-5-6-10-19(21)24-15-12-17(3)11-14-22-4/h16-17H,5-15H2,1-4H3 |
| InChIKey |
OIUPDBURXZAASY-UHFFFAOYSA-N |
| Molecular Weight |
344.492 g/mol |
| SMILES |
C(C(=O)OCCC(CCOC)C)CCCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872727 |
