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(E)-4-(1'-HYDROPEROXY-2',2'-DIMETHYL-6'-METHYLIDENECYCLOHEXYL)-3-METHYLBUT-3-EN-2-ONE
SpectraBase Compound ID CatNyZ2QV5S
InChI InChI=1S/C14H22O3/c1-10(12(3)15)9-14(17-16)11(2)7-6-8-13(14,4)5/h9,16H,2,6-8H2,1,3-5H3/b10-9+
InChIKey JTFKMGFBUNZZBB-MDZDMXLPSA-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 GDapEHdXCxr
Name 3-Buten-2-one, 4-(1-hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-, (E)-(.+-.)-
CAS Registry Number 125257-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-10(12(3)15)9-14(17-16)11(2)7-6-8-13(14,4)5/h9,16H,2,6-8H2,1,3-5H3/b10-9+
InChIKey JTFKMGFBUNZZBB-MDZDMXLPSA-N
Molecular Weight 238.327 g/mol
SMILES OOC1(\C=C\(C(=O)C)C)C(=C)CCCC1(C)C
SPLASH splash10-0006-9410000000-41b6af6e0cb156c09da9
Source of Spectrum H-72-949-0
Synonyms (3E)-4-(1-hydroperoxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-3-buten-2-one (E)-4-(1'-hydroperoxy-2',2'-dimethyl-6'-methylidenecyclohexyl)-3-methylbut-3-en-2-one
Wiley ID 1240808