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(1-R,2-R,4-R,5-S)-6-(4-METHOXYPHENYL)-2-METHYL-7-OXO-3-OXA-6-AZABICYCLO-[3.2.0]-HEPT-4-YL_BROMOBENZOATE

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(1-R,2-R,4-R,5-S)-6-(4-METHOXYPHENYL)-2-METHYL-7-OXO-3-OXA-6-AZABICYCLO-[3.2.0]-HEPT-4-YL_BROMOBENZOATE
SpectraBase Compound ID 5GTTfBr2QkR
InChI InChI=1S/C20H18BrNO5/c1-11-16-17(22(18(16)23)14-7-9-15(25-2)10-8-14)20(26-11)27-19(24)12-3-5-13(21)6-4-12/h3-11,16-17,20H,1-2H3/t11?,16-,17-,20+/m0/s1
InChIKey YHTCQZOFZXMWRU-XCRUSMTESA-N
Mol Weight 432.27 g/mol
Molecular Formula C20H18BrNO5
Exact Mass 431.036836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BWcLaKWnuz
Name (1-R,2-R,4-R,5-S)-6-(4-METHOXYPHENYL)-2-METHYL-7-OXO-3-OXA-6-AZABICYCLO-[3.2.0]-HEPT-4-YL_BROMOBENZOATE
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18BrNO5
InChI InChI=1S/C20H18BrNO5/c1-11-16-17(22(18(16)23)14-7-9-15(25-2)10-8-14)20(26-11)27-19(24)12-3-5-13(21)6-4-12/h3-11,16-17,20H,1-2H3/t11?,16-,17-,20+/m0/s1
InChIKey YHTCQZOFZXMWRU-XCRUSMTESA-N
Literature Reference Author Z.SANTA,J.NAGY,L.PARKANYI,J.NYITRAI
Literature Reference Citation MH.CHEM.,135,671(2004)
Literature Reference DOI 10.1007/s00706-003-0135-9
Molecular Weight 432.271 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3854