| SpectraBase Spectrum ID |
7VqNhkCJ4yi |
| Name |
Adipic acid, hexyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-4-6-8-10-14-18(3)24-20(22)16-12-11-15-19(21)23-17-13-9-7-5-2/h18H,4-17H2,1-3H3 |
| InChIKey |
JYZCHAWPFPRUAT-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CC(OC(=O)CCCCC(OCCCCCC)=O)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894758 |
