| SpectraBase Spectrum ID |
F3Sa1DPmCao |
| Name |
Sebacic acid, hexyl 3-hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-4-7-8-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20(6-3)16-5-2/h20H,4-19H2,1-3H3 |
| InChIKey |
KIRJLCHMMMETGD-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCC(OC(CC)CCC)=O)CCCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816574 |
