| SpectraBase Spectrum ID |
IOTI1ERk1Fh |
| Name |
Adipic acid, 2,4-dimethylpent-3-yl isohexyl 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/c1-14(2)10-9-13-22-17(20)11-7-8-12-18(21)23-19(15(3)4)16(5)6/h14-16,19H,7-13H2,1-6H3 |
| InChIKey |
ADFPEMFGGNNRPA-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OC(C(C)C)C(C)C)(CCCCC(OCCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852226 |
