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3,5,5-trimethyl-4-[(E)-3-methyl-5-oxidanyl-pent-3-en-1-ynyl]-4-oxidanyl-cyclohex-2-en-1-one
SpectraBase Compound ID 2UM3Au5xnuO
InChI InChI=1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,9,16,18H,8,10H2,1-4H3/b11-6+
InChIKey UYCPRVKDPDUKAA-IZZDOVSWSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGrzWrA7V7x
Name 3,5,5-trimethyl-4-[(E)-3-methyl-5-oxidanyl-pent-3-en-1-ynyl]-4-oxidanyl-cyclohex-2-en-1-one
CAS Registry Number 83020-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,9,16,18H,8,10H2,1-4H3/b11-6+
InChIKey UYCPRVKDPDUKAA-IZZDOVSWSA-N
Molecular Weight 248.322 g/mol
SMILES OC\C=C\(C#CC1(C(=CC(CC1(C)C)=O)C)O)C
SPLASH splash10-006x-3900000000-53d3e32680ccac4bc1a0
Source of Spectrum H-65-964-0
Synonyms 4-Hydroxy-4-[(E)-5-hydroxy-3-methyl-pent-3-en-1-ynyl]-3,5,5-trimethyl-cyclohex-2-en-1-one 4-Hydroxy-4-[(E)-5-hydroxy-3-methylpent-3-en-1-ynyl]-3,5,5-trimethyl-1-cyclohex-2-enone
Wiley ID 1251260