| SpectraBase Spectrum ID |
Jyakw7lj2oo |
| Name |
Sebacic acid, isobutyl 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/c1-6-18(17(4)5)24-20(22)14-12-10-8-7-9-11-13-19(21)23-15-16(2)3/h16-18H,6-15H2,1-5H3 |
| InChIKey |
MZBIQQBVTBBFCC-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)CC)=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968175 |
