| SpectraBase Spectrum ID |
EofiBNbchA6 |
| Name |
Sebacic acid, butyl 3-methylpentyl 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/c1-4-6-16-23-19(21)13-11-9-7-8-10-12-14-20(22)24-17-15-18(3)5-2/h18H,4-17H2,1-3H3 |
| InChIKey |
MQUNFEPWWZEBSK-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCC)=O)(OCCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98346 |
