| SpectraBase Spectrum ID |
Axy7TiycYko |
| Name |
Sebacic acid, butyl 2,4-dimethylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-6-7-16-24-19(22)14-12-10-8-9-11-13-15-20(23)25-21(17(2)3)18(4)5/h17-18,21H,6-16H2,1-5H3 |
| InChIKey |
NCTYGTKVCDTUKF-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899812 |
