| SpectraBase Spectrum ID |
KZa5pUd0xPv |
| Name |
Succinic acid, docosyl isohexyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35-31(33)26-27-32(34)36-29-24-25-30(2)3/h30H,4-29H2,1-3H3 |
| InChIKey |
PSFXJSMOUUKPRS-UHFFFAOYSA-N |
| Molecular Weight |
510.844 g/mol |
| SMILES |
C(C(OCCCCCCCCCCCCCCCCCCCCCC)=O)CC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916416 |
