SpectraBase Spectrum ID |
Llnzg0JMNUn |
Name |
Sebacic acid, butyl 2-decyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
398.339609957 u |
Formula |
C24H46O4 |
InChI |
InChI=1S/C24H46O4/c1-4-6-8-9-12-15-18-22(3)28-24(26)20-17-14-11-10-13-16-19-23(25)27-21-7-5-2/h22H,4-21H2,1-3H3 |
InChIKey |
MDMGQHAMZQMNSY-UHFFFAOYSA-N |
Molecular Weight |
398.628 g/mol |
SMILES |
C(CCCCCCCCC(OCCCC)=O)(OC(C)CCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944416 |