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2-Cyclohexen-1-one, 6-hydroxy-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]-
SpectraBase Compound ID BPQorjISbtw
InChI InChI=1S/C13H18O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,11,15H,7H2,1-4H3/b6-5+/t11-/m0/s1
InChIKey IJMNXZHEDVWINS-QRGHLMKCSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6M3lBcPsw7P
Name 2-Cyclohexen-1-one, 6-hydroxy-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]-
CAS Registry Number 74311-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,11,15H,7H2,1-4H3/b6-5+/t11-/m0/s1
InChIKey IJMNXZHEDVWINS-QRGHLMKCSA-N
Molecular Weight 222.284 g/mol
SMILES O[C@]1(CC(C(=C(C1=O)C)\C=C\C(=O)C)(C)C)[H]
SPLASH splash10-000f-3900000000-ef42517678baa6d64466
Source of Spectrum H-64-2432-0
Synonyms (6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one (S)-6-hydroxy-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexenone (6S)-6-hydroxy-2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone (6S)-6-hydroxy-2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one (6S)-2,4,4-trimethyl-6-oxidanyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one
Wiley ID 1222529