| SpectraBase Spectrum ID |
1uqJEst7W75 |
| Name |
Sebacic acid, hexyl oct-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-4-7-9-17-21-27-23(25)19-15-12-10-11-13-16-20-24(26)28-22(6-3)18-14-8-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
LNWJJKXMTFTDJZ-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909935 |
