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Ethyl 3-(bis(4-fluorophenyl)methylene)-1-(4-bromophenyl)-5,5-dimethyl-4-(propan-2-ylidene)pyrrolidine-2-carboxylate
SpectraBase Compound ID BnybNxdwbuD
InChI InChI=1S/C31H30BrF2NO2/c1-6-37-30(36)29-27(26(20-7-13-23(33)14-8-20)21-9-15-24(34)16-10-21)28(19(2)3)31(4,5)35(29)25-17-11-22(32)12-18-25/h7-18,29H,6H2,1-5H3
InChIKey JRFABBVGAWWWSZ-UHFFFAOYSA-N
Mol Weight 566.49 g/mol
Molecular Formula C31H30BrF2NO2
Exact Mass 565.142799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bbnYJcaSe
Name Ethyl 3-(bis(4-fluorophenyl)methylene)-1-(4-bromophenyl)-5,5-dimethyl-4-(propan-2-ylidene)pyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30BrF2NO2
InChI InChI=1S/C31H30BrF2NO2/c1-6-37-30(36)29-27(26(20-7-13-23(33)14-8-20)21-9-15-24(34)16-10-21)28(19(2)3)31(4,5)35(29)25-17-11-22(32)12-18-25/h7-18,29H,6H2,1-5H3
InChIKey JRFABBVGAWWWSZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070501q
Molecular Weight 566.487 g/mol
SMILES C1(C)(N(C(C(=C(c2ccc(cc2)F)c2ccc(cc2)F)C1=C(C)C)C(=O)OCC)c1ccc(cc1)Br)C
SPLASH splash10-0006-0030900000-4d6ca88d2621177cb3c7
Source of Spectrum A1-9-1805/SMS6-3c
Wiley ID 1758124