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2-Cyclohexen-1-one, 6-hydroxy-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [R-(E)]-
SpectraBase Compound ID 4vHhVMKCL2G
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-/m1/s1
InChIKey IJMNXZHEDVWINS-MVIFTORASA-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 3oXy8Umz40c
Name 2-Cyclohexen-1-one, 6-hydroxy-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [R-(E)]-
CAS Registry Number 80779-52-8
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-/m1/s1
InChIKey IJMNXZHEDVWINS-MVIFTORASA-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-5900000000-401f25515d3d65c9ee5b
Source of Spectrum H-64-2432-0
Synonyms (6R)-6-hydroxy-2,4,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one (R)-6-hydroxy-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexenone
Wiley ID 1222528