| SpectraBase Spectrum ID |
3JL892BjQ0B |
| Name |
Adipic acid, eicosyl 3-hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.464810472 u |
| Formula |
C32H62O4 |
| InChI |
InChI=1S/C32H62O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-35-31(33)27-23-24-28-32(34)36-30(6-3)26-5-2/h30H,4-29H2,1-3H3 |
| InChIKey |
TZROWPKKSDDYGB-UHFFFAOYSA-N |
| Molecular Weight |
510.844 g/mol |
| SMILES |
C(C(OC(CC)CCC)=O)CCCC(OCCCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820097 |
