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(3S,6S,7R,9AR)-TERT.-BUTYL-6-[(TERT.-BUTOXYCARBONYL)-AMINO]-7-METHYL-5-OXO-2,3,5,6,7,9A-HEXAHYDRO-1H-PYRROLO-[1,2-A]-AZEPINE-3-CARBOXYLATE
SpectraBase Compound ID A9v6mz7PhLE
InChI InChI=1S/C20H32N2O5/c1-12-8-9-13-10-11-14(17(24)26-19(2,3)4)22(13)16(23)15(12)21-18(25)27-20(5,6)7/h8-9,12-15H,10-11H2,1-7H3,(H,21,25)/t12-,13+,14+,15+/m1/s1
InChIKey ABCGJBVYJQCIEN-QPSCCSFWSA-N
Mol Weight 380.5 g/mol
Molecular Formula C20H32N2O5
Exact Mass 380.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jh9yWQGW0I3
Name (3S,6S,7R,9AR)-TERT.-BUTYL-6-[(TERT.-BUTOXYCARBONYL)-AMINO]-7-METHYL-5-OXO-2,3,5,6,7,9A-HEXAHYDRO-1H-PYRROLO-[1,2-A]-AZEPINE-3-CARBOXYLATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32N2O5
InChI InChI=1S/C20H32N2O5/c1-12-8-9-13-10-11-14(17(24)26-19(2,3)4)22(13)16(23)15(12)21-18(25)27-20(5,6)7/h8-9,12-15H,10-11H2,1-7H3,(H,21,25)/t12-,13+,14+,15+/m1/s1
InChIKey ABCGJBVYJQCIEN-QPSCCSFWSA-N
Literature Reference Author C.REUTER,M.KLECZKA,S.D.MAZANCOURT,J.M.NEUDOERFL,R.KUEHNE,H.G .SCHMALZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,2664(2014)
Literature Reference DOI 10.1002/ejoc.201301875
Molecular Weight 380.484 g/mol
Solvent CDCl3
Source File Reference UWIR18544