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1,5-Heptadien-4-one, 3-hydroxy-3-methyl-, (E)-
SpectraBase Compound ID 7MTKFt5DtgF
InChI InChI=1S/C8H12O2/c1-4-6-7(9)8(3,10)5-2/h4-6,10H,2H2,1,3H3/b6-4+
InChIKey JOMDLKIWUSSHEH-GQCTYLIASA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83csRlchqRn
Name 1,5-Heptadien-4-one, 3-hydroxy-3-methyl-, (E)-
Alternate Name(s) (5E)-3-hydroxy-3-methyl-1,5-heptadien-4-one (E)-3-Hydroxy-3-methyl-1,5-heptadien-4-one
CAS Registry Number 106200-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-4-6-7(9)8(3,10)5-2/h4-6,10H,2H2,1,3H3/b6-4+
InChIKey JOMDLKIWUSSHEH-GQCTYLIASA-N
Molecular Weight 140.182 g/mol
SMILES OC(C(\C=C\C)=O)(C=C)C
SPLASH splash10-01b9-9000000000-ee38b686215284af7080
Source of Spectrum H-69-234-18
Wiley ID 1139389