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2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-2-[7-(4-morpholinyl)bicyclo[4.1.0]hept-7-yl]-, (1.alpha.,6.alpha.,7.beta.)-
SpectraBase Compound ID Glu5E4Io4el
InChI InChI=1S/C20H31NO3/c1-19(2)12-16(22)18(17(13-19)23-3)20(21-8-10-24-11-9-21)14-6-4-5-7-15(14)20/h14-15H,4-13H2,1-3H3/t14-,15+,20+
InChIKey VLWNXYSUMUCIIO-QVDMIQRCSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75fKCeQfKHX
Name 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-2-[7-(4-morpholinyl)bicyclo[4.1.0]hept-7-yl]-, (1.alpha.,6.alpha.,7.beta.)-
Alternate Name(s) 3-Methoxy-5,5-dimethyl-2-(endo-7-morpholinobicyclo[4.1.0]hept-7-yl)-2-cyclohexen-1-one 3-Methoxy-5,5-dimethyl-2-[(1R,6S)-7-(4-morpholinyl)bicyclo[4.1.0]hept-7-yl]-2-cyclohexen-1-one
CAS Registry Number 93098-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-19(2)12-16(22)18(17(13-19)23-3)20(21-8-10-24-11-9-21)14-6-4-5-7-15(14)20/h14-15H,4-13H2,1-3H3/t14-,15+,20+
InChIKey VLWNXYSUMUCIIO-QVDMIQRCSA-N
Molecular Weight 333.472 g/mol
SMILES [C@]1(C2=C(CC(CC2=O)(C)C)OC)([C@@]2(CCCC[C@]12[H])[H])N1CCOCC1
SPLASH splash10-0gb9-0009000000-31d002023a78daa052bf
Source of Spectrum K-117-2924-0
Wiley ID 1330369