SpectraBase Compound ID | BoLcNKLNJPS |
---|---|
InChI | InChI=1S/C13H24O4/c1-12(14)9-7-5-3-4-6-8-10-13(15)17-11-16-2/h3-11H2,1-2H3 |
InChIKey | QKSPWQGGABJBIP-UHFFFAOYSA-N |
Mol Weight | 244.33 g/mol |
Molecular Formula | C13H24O4 |
Exact Mass | 244.167459 g/mol |
SpectraBase Spectrum ID | JgjgCXsiB8q |
---|---|
Name | Sebacic acid polyester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 244.167459249 u |
Formula | C13H24O4 |
InChI | InChI=1S/C13H24O4/c1-12(14)9-7-5-3-4-6-8-10-13(15)17-11-16-2/h3-11H2,1-2H3 |
InChIKey | QKSPWQGGABJBIP-UHFFFAOYSA-N |
Molecular Weight | 244.331 g/mol |
Nominal Mass | 244 u |
SMILES | C(OC)OC(=O)CCCCCCCCC(=O)C |
Spectrum/Structure Validation Score (Raman) | 0.95235 |