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2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[6-(4-morpholinyl)bicyclo[3.1.0]hex-6-yl]-, (1.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID 1rYud7JjVeu
InChI InChI=1S/C18H27NO3/c1-17(2)10-14(20)16(15(21)11-17)18(12-4-3-5-13(12)18)19-6-8-22-9-7-19/h12-13,20H,3-11H2,1-2H3/t12-,13+,18-
InChIKey UPPCSFNBSCUKJI-IVWMJMPLSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJBIdUSSr8G
Name 2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[6-(4-morpholinyl)bicyclo[3.1.0]hex-6-yl]-, (1.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 93098-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-17(2)10-14(20)16(15(21)11-17)18(12-4-3-5-13(12)18)19-6-8-22-9-7-19/h12-13,20H,3-11H2,1-2H3/t12-,13+,18-
InChIKey UPPCSFNBSCUKJI-IVWMJMPLSA-N
Molecular Weight 305.418 g/mol
SMILES OC1=C([C@]2([C@@]3(CCC[C@]23[H])[H])N2CCOCC2)C(CC(C)(C)C1)=O
SPLASH splash10-001r-4900000000-3f5f2599fa2943c185c9
Source of Spectrum K-117-2923-0
Synonyms 3-Hydroxy-5,5-dimethyl-2-(endo-6-morpholinobicyclo[3.1.0]hex-6-yl)-2-cyclohexen-1-one 3-Hydroxy-5,5-dimethyl-2-[(1R,5S)-6-(4-morpholinyl)bicyclo[3.1.0]hex-6-yl]-2-cyclohexen-1-one
Wiley ID 1307405