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(3R)-14-METHOXY-(3-PROP-2-YNYL)-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
SpectraBase Compound ID 1LkhQ59ewb3
InChI InChI=1S/C19H22O3/c1-3-10-16-13-8-6-4-5-7-11-15-12-9-14-17(21-2)18(15)19(20)22-16/h1,5,7,9,12,14,16H,4,6,8,10-11,13H2,2H3/b7-5+/t16-/m0/s1
InChIKey NYMXBALRWPIIRL-YERXGYGTSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0uRwloamq9
Name (3R)-14-METHOXY-(3-PROP-2-YNYL)-3,4,5,6,7,10-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-3-10-16-13-8-6-4-5-7-11-15-12-9-14-17(21-2)18(15)19(20)22-16/h1,5,7,9,12,14,16H,4,6,8,10-11,13H2,2H3/b7-5+/t16-/m0/s1
InChIKey NYMXBALRWPIIRL-YERXGYGTSA-N
Literature Reference Author C.HERB,F.DETTNER,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,728(2005)
Molecular Weight 298.382 g/mol
Sample ID 42368
Solvent CDCl3