| SpectraBase Spectrum ID |
9oNJUOQoon9 |
| Name |
Sebacic acid, butyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-7-16-23-19(21)14-12-10-8-9-11-13-15-20(22)24-18(6-2)17(3)4/h17-18H,5-16H2,1-4H3 |
| InChIKey |
NRJBXYDMXPLQON-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931026 |
