| SpectraBase Spectrum ID |
3lHcBFSHAwi |
| Name |
Sebacic acid, 6-ethyloct-3-yl isobutyl 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/c1-6-21(7-2)17-18-22(8-3)28-24(26)16-14-12-10-9-11-13-15-23(25)27-19-20(4)5/h20-22H,6-19H2,1-5H3 |
| InChIKey |
CAAVLDDSPKWRNQ-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902749 |
