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1-Ethylhexyl tiglate
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

Raman Spectrum

Raman Spectrum

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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