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(M,3S)-17-BROMO-5-METHYL-3-PHENYL-2-OXA-5-AZATRICYCLO-[11.4.0.0(7,12)]-HEPTADECA-7,9,11,13,15,17-HEXAENE
SpectraBase Compound ID E7ExEa83dU3
InChI InChI=1S/C22H20BrNO/c1-24-14-17-10-5-6-11-18(17)19-12-7-13-20(23)22(19)25-21(15-24)16-8-3-2-4-9-16/h2-13,21H,14-15H2,1H3/t21-/m1/s1
InChIKey CAJIRNCOFRQCGM-OAQYLSRUSA-N
Mol Weight 394.31 g/mol
Molecular Formula C22H20BrNO
Exact Mass 393.072827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4v87gIiZVyp
Name (M,3S)-17-BROMO-5-METHYL-3-PHENYL-2-OXA-5-AZATRICYCLO-[11.4.0.0(7,12)]-HEPTADECA-7,9,11,13,15,17-HEXAENE
Compound Number (M)-4X
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20BrNO
InChI InChI=1S/C22H20BrNO/c1-24-14-17-10-5-6-11-18(17)19-12-7-13-20(23)22(19)25-21(15-24)16-8-3-2-4-9-16/h2-13,21H,14-15H2,1H3/t21-/m1/s1
InChIKey CAJIRNCOFRQCGM-OAQYLSRUSA-N
Literature Reference Author D.R.SPRING,S.KRISHNAN,H.E.BLACKWELL,S.L.SCHREIBER
Literature Reference Citation J.AM.CHEM.SOC.,124,1354(2002)
Literature Reference DOI 10.1021/ja017248o
Molecular Weight 394.311 g/mol
Sample ID 49759
Solvent CDCl3