| SpectraBase Spectrum ID |
BTAIDLXRako |
| Name |
Sebacic acid, butyl oct-3-yl 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/c1-4-7-13-16-20(6-3)26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-8-5-2/h20H,4-19H2,1-3H3 |
| InChIKey |
QPTPYNJPSBDVQA-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946233 |
