| SpectraBase Spectrum ID |
6sBXNRnD0pN |
| Name |
Succinic 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 |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-12(2)8-7-11-20-15(18)9-10-16(19)21-17(13(3)4)14(5)6/h12-14,17H,7-11H2,1-6H3 |
| InChIKey |
BQDMOJTUUQXOLI-UHFFFAOYSA-N |
| SMILES |
C(OC(C(C)C)C(C)C)(CCC(OCCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914566 |
