SpectraBase Spectrum ID |
BiBFO33v9kR |
Name |
Sebacic acid, butyl hexyl 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/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h3-18H2,1-2H3 |
InChIKey |
KXNHXUIFODICPR-UHFFFAOYSA-N |
Molecular Weight |
342.520 g/mol |
SMILES |
C(CCCCCC(OCCCCCC)=O)CCC(OCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810393 |