| SpectraBase Spectrum ID |
4YLyeaoHwa |
| Name |
Adipic acid, eicosyl 4-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.480460537 u |
| Formula |
C33H64O4 |
| InChI |
InChI=1S/C33H64O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-36-32(34)28-23-24-29-33(35)37-31(26-5-2)27-6-3/h31H,4-30H2,1-3H3 |
| InChIKey |
WNCDBSHIDISXGJ-UHFFFAOYSA-N |
| Molecular Weight |
524.871 g/mol |
| SMILES |
C(CCC(OC(CCC)CCC)=O)CC(OCCCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847079 |
