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2,2-Dimethyl-4-oxo-5-hepten-3(S)-ol

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

2,2-Dimethyl-4-oxo-5-hepten-3(S)-ol
SpectraBase Compound ID 2ZIFUhPZdze
InChI InChI=1S/C9H16O2/c1-5-6-7(10)8(11)9(2,3)4/h5-6,8,11H,1-4H3/b6-5+
InChIKey IZSKROAXYLYQKN-AATRIKPKSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zXUMaijRKc
Name (E)-5-hydroxy-6,6-dimethyl-2-hepten-4-one
Alternate Name(s) (E)-5-hydroxy-6,6-dimethyl-hept-2-en-4-one (E)-6,6-dimethyl-5-oxidanyl-hept-2-en-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-5-6-7(10)8(11)9(2,3)4/h5-6,8,11H,1-4H3/b6-5+
InChIKey IZSKROAXYLYQKN-AATRIKPKSA-N
Molecular Weight 156.225 g/mol
SMILES OC(C(\C=C\C)=O)C(C)(C)C
SPLASH splash10-0fr6-9100000000-c6f5abf735ae9ebfda8c
Source of Spectrum J-59-5461-4
Wiley ID 1153891