| SpectraBase Spectrum ID |
9FxZkqrIGwK |
| Name |
Adipic acid, heptadecyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.449160408 u |
| Formula |
C31H60O4 |
| InChI |
InChI=1S/C31H60O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-24-28-34-30(32)26-22-23-27-31(33)35-29(3)25-21-9-7-5-2/h29H,4-28H2,1-3H3 |
| InChIKey |
QQUXKEFIUUBSCQ-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
C(C(=O)OC(CCCCCC)C)CCCC(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848254 |
