SpectraBase Compound ID | FcGKGjCV2Zg |
---|---|
InChI | InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+ |
InChIKey | LMBAQNNBRWRROG-IZZDOVSWSA-N |
Mol Weight | 212.33 g/mol |
Molecular Formula | C13H24O2 |
Exact Mass | 212.17763 g/mol |
SpectraBase Spectrum ID | JsLunIPNnXB |
---|---|
Name | 1-Ethylhexyl tiglate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 212.177630011 u |
Formula | C13H24O2 |
InChI | InChI=1S/C13H24O2/c1-5-8-9-10-12(7-3)15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+ |
InChIKey | LMBAQNNBRWRROG-IZZDOVSWSA-N |
Molecular Weight | 212.333 g/mol |
SMILES | C(\C(=C\C)C)(OC(CC)CCCCC)=O |
Spectrum/Structure Validation Score (Raman) | 0.967672 |