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3-Methyl-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-4-pentyn
SpectraBase Compound ID 6VJPsxuvfzF
InChI InChI=1S/C15H18O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,8-9,18H,10H2,1-4H3/b11-6+
InChIKey GBFDOIUTSKWICP-IZZDOVSWSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZ1zQ4PySDe
Name 3-Methyl-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-4-pentyn
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,8-9,18H,10H2,1-4H3/b11-6+
InChIKey GBFDOIUTSKWICP-IZZDOVSWSA-N
Molecular Weight 246.306 g/mol
SMILES OC1(C(=CC(CC1(C)C)=O)C)C#C\C(C)=C\C=O
SPLASH splash10-02vl-9400000000-36141b1260a29df82ab3
Synonyms (2E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2-penten-4-ynal (E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)pent-2-en-4-ynal (E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpent-2-en-4-ynal (E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-pent-2-en-4-ynal (E)-5-(1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3-methyl-pent-2-en-4-ynal 5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2-penten-4-ynal
Wiley ID 1471741