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(E)-4-(1'-hydroperoxy-2',2'-dimethyl-6'-methylidenecyclohexyl)pent-3-en-2-one
SpectraBase Compound ID hRRlvDyWOs
InChI InChI=1S/C14H22O3/c1-10-7-6-8-13(4,5)14(10,17-16)11(2)9-12(3)15/h9,16H,1,6-8H2,2-5H3/b11-9+
InChIKey ABKYIBLLJAHNQO-PKNBQFBNSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZDvG9sMcQT
Name (3E)-4-(1-Hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-penten-2-one
CAS Registry Number 125284-20-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-10-7-6-8-13(4,5)14(10,17-16)11(2)9-12(3)15/h9,16H,1,6-8H2,2-5H3/b11-9+
InChIKey ABKYIBLLJAHNQO-PKNBQFBNSA-N
Molecular Weight 238.327 g/mol
SMILES OOC1(C(CCCC1(C)C)=C)\C(=C\C(C)=O)C
SPLASH splash10-0006-9400000000-ea960633262bc799dbfc
Synonyms (E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)pent-3-en-2-one (E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-penten-2-one (E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylidenecyclohexyl)pent-3-en-2-one (E)-4-[1-(dioxidanyl)-2,2-dimethyl-6-methylidene-cyclohexyl]pent-3-en-2-one 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one 4-(1-Hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-penten-2-one
Wiley ID 1482469