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3-HYDROXY-5,5-DIMETHYL-2-(ENDO-HEXAHYDROAZEPINO-BICYCLO-[4.1.0]-HEPT-2-YL)-2-CYCLOHEXEN-1-ONE
SpectraBase Compound ID COSeQiqfoGJ
InChI InChI=1S/C21H33NO2/c1-20(2)13-17(23)19(18(24)14-20)21(15-9-5-6-10-16(15)21)22-11-7-3-4-8-12-22/h15-16,23H,3-14H2,1-2H3/t15-,16+,21?
InChIKey MCIWZIMSFLXIFG-GWTOYCKXSA-N
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYZqjcHTJAX
Name 3-HYDROXY-5,5-DIMETHYL-2-(ENDO-HEXAHYDROAZEPINO-BICYCLO-[4.1.0]-HEPT-2-YL)-2-CYCLOHEXEN-1-ONE
Compound Number 20 CA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33NO2
InChI InChI=1S/C21H33NO2/c1-20(2)13-17(23)19(18(24)14-20)21(15-9-5-6-10-16(15)21)22-11-7-3-4-8-12-22/h15-16,23H,3-14H2,1-2H3/t15-,16+,21?
InChIKey MCIWZIMSFLXIFG-GWTOYCKXSA-N
Literature Reference Author J.WEIDNER,E.VILSMAIER,R.FRIES
Literature Reference Citation MH.CHEM.,118,1039(1987)
Literature Reference DOI 10.1007/BF00815330
Molecular Weight 331.499 g/mol
Solvent CDCl3:CD3OLI=1:0.14
Source File Reference UWCS11455