| SpectraBase Spectrum ID |
FfpiSlpQclo |
| Name |
Adipic acid, hexadecyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.433510344 u |
| Formula |
C30H58O4 |
| InChI |
InChI=1S/C30H58O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-23-27-33-29(31)25-21-22-26-30(32)34-28(3)24-20-9-7-5-2/h28H,4-27H2,1-3H3 |
| InChIKey |
FLTKPACCYWHFQQ-UHFFFAOYSA-N |
| Molecular Weight |
482.790 g/mol |
| SMILES |
C(=O)(CCCCC(OCCCCCCCCCCCCCCCC)=O)OC(CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821873 |
