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(3AR*,7AS*)-2-TERT.-BUTYL-3,3A-DIHYDRO-7A-METHYL-3-PHENYL-2H-PYRROLO-[3,4-C]-PYRIDINE-1,4(5H,7AH)-DIONE
SpectraBase Compound ID D5ObFILvWAd
InChI InChI=1S/C18H22N2O2/c1-17(2,3)20-14(12-8-6-5-7-9-12)13-15(21)19-11-10-18(13,4)16(20)22/h5-11,13-14H,1-4H3,(H,19,21)/t13-,14?,18+/m1/s1
InChIKey LLMNEPUYAOFUEY-RFQFSVLTSA-N
Mol Weight 298.39 g/mol
Molecular Formula C18H22N2O2
Exact Mass 298.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AO6miR3F6V
Name (3AR*,7AS*)-2-TERT.-BUTYL-3,3A-DIHYDRO-7A-METHYL-3-PHENYL-2H-PYRROLO-[3,4-C]-PYRIDINE-1,4(5H,7AH)-DIONE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O2
InChI InChI=1S/C18H22N2O2/c1-17(2,3)20-14(12-8-6-5-7-9-12)13-15(21)19-11-10-18(13,4)16(20)22/h5-11,13-14H,1-4H3,(H,19,21)/t13-,14?,18+/m1/s1
InChIKey LLMNEPUYAOFUEY-RFQFSVLTSA-N
Literature Reference Author J.CLAYDEN,S.D.HAMILTON,R.T.MOHAMMED
Literature Reference Citation ORG.LETTERS,7,3673(2005)
Literature Reference DOI 10.1021/ol051214u
Molecular Weight 298.385 g/mol
Sample ID 62687
Solvent CDCl3