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(1R,2S,4'S)-9-bromo-4'-chloro-2-(4-methylphenyl)spiro[2H-phenanthrene-1,5'-4H-isoxazole]-3'-carboxylic acid ethyl ester
SpectraBase Compound ID 6PVJvwwOv5p
InChI InChI=1S/C26H21BrClNO3/c1-3-31-25(30)23-24(28)26(32-29-23)20(16-10-8-15(2)9-11-16)13-12-18-17-6-4-5-7-19(17)22(27)14-21(18)26/h4-14,20,24H,3H2,1-2H3/t20-,24-,26+/m0/s1
InChIKey QWHXCPQEYGIPQJ-OCDQVXHZSA-N
Mol Weight 510.82 g/mol
Molecular Formula C26H21BrClNO3
Exact Mass 509.039334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0dsHEom7sn
Name (1R,2S,4'S)-9-bromo-4'-chloro-2-(4-methylphenyl)spiro[2H-phenanthrene-1,5'-4H-isoxazole]-3'-carboxylic acid ethyl ester
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H21BrClNO3
InChI InChI=1S/C26H21BrClNO3/c1-3-31-25(30)23-24(28)26(32-29-23)20(16-10-8-15(2)9-11-16)13-12-18-17-6-4-5-7-19(17)22(27)14-21(18)26/h4-14,20,24H,3H2,1-2H3/t20-,24-,26+/m0/s1
InChIKey QWHXCPQEYGIPQJ-OCDQVXHZSA-N
Literature Reference Author S.HIROTANI,S.ZEN
Literature Reference Citation HETEROCYCLES,36,2663(1993)
Literature Reference DOI 10.3987/COM-93-6506
Molecular Weight 510.815 g/mol
Solvent CDCl3
Source File Reference UWCP6334