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(E)-7-Hydroxy-8,8-dimethyl-5-nonen-4-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-7-Hydroxy-8,8-dimethyl-5-nonen-4-one
SpectraBase Compound ID 9GOH3kWdD08
InChI InChI=1S/C11H20O2/c1-5-6-9(12)7-8-10(13)11(2,3)4/h7-8,10,13H,5-6H2,1-4H3/b8-7+
InChIKey INXRMWCFDSGTCN-BQYQJAHWSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 12mos9mhffG
Name (E)-7-Hydroxy-8,8-dimethyl-5-nonen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-5-6-9(12)7-8-10(13)11(2,3)4/h7-8,10,13H,5-6H2,1-4H3/b8-7+
InChIKey INXRMWCFDSGTCN-BQYQJAHWSA-N
Molecular Weight 184.279 g/mol
SMILES C(\C=C\C(C(C)(C)C)O)(=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974524