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(5AR,6R,4AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-4-(HYDROXYMETHYL)-6-(1-METHYLETHYL)-9-METHYLENE-1-OXO-2-BENZOXEPIN
SpectraBase Compound ID 3e2zTbD8aqQ
InChI InChI=1S/C15H22O3/c1-9(2)12-5-4-10(3)14-13(12)6-11(7-16)8-18-15(14)17/h6,9,12-14,16H,3-5,7-8H2,1-2H3/t12-,13-,14-/m1/s1
InChIKey WUCGPCLEVZLDKB-MGPQQGTHSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyZRpcvM5xD
Name (5AR,6R,4AS)-1,3,5A,6,7,8,9,9A-OCTAHYDRO-4-(HYDROXYMETHYL)-6-(1-METHYLETHYL)-9-METHYLENE-1-OXO-2-BENZOXEPIN
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9(2)12-5-4-10(3)14-13(12)6-11(7-16)8-18-15(14)17/h6,9,12-14,16H,3-5,7-8H2,1-2H3/t12-,13-,14-/m1/s1
InChIKey WUCGPCLEVZLDKB-MGPQQGTHSA-N
Literature Reference Author G.RIEHS,E.URBAN
Literature Reference Citation MH.CHEM.,128,281(1997)
Literature Reference DOI 10.1007/BF00807894
Molecular Weight 250.338 g/mol
Solvent CDCl3
Source File Reference UWCS15965