| SpectraBase Spectrum ID |
DZjHqEJrRsS |
| Name |
Sebacic acid, di(2-propylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-5-15-23(16-6-2)21-29-25(27)19-13-11-9-10-12-14-20-26(28)30-22-24(17-7-3)18-8-4/h23-24H,5-22H2,1-4H3 |
| InChIKey |
ZMNXATLFJJQIPI-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCC(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969026 |
