| SpectraBase Spectrum ID |
AoG8FfqKm3I |
| Name |
Adipic acid, 2-decyl hexadecyl 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/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30(3)26-22-20-11-9-7-5-2/h30H,4-29H2,1-3H3 |
| InChIKey |
SAVXVRGQZIMUOG-UHFFFAOYSA-N |
| Molecular Weight |
510.844 g/mol |
| SMILES |
C(C(OC(CCCCCCCC)C)=O)CCCC(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858179 |
