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(3R,4R,5R)-2-Amino-3-cyano-4,5-bis-(4-fluoro-phenyl)-cyclopent-1-ene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID 80EegAyKnxM
InChI InChI=1S/C24H22F2N2O4/c1-3-31-22(29)19-18(14-5-9-16(25)10-6-14)20(15-7-11-17(26)12-8-15)24(13-27,21(19)28)23(30)32-4-2/h5-12,18,20H,3-4,28H2,1-2H3/t18-,20+,24-/m1/s1
InChIKey WSTSWPZTLRHAKR-LJFZDNNRSA-N
Mol Weight 440.45 g/mol
Molecular Formula C24H22F2N2O4
Exact Mass 440.154764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4iE9C2XBqh
Name (3R,4R,5R)-2-Amino-3-cyano-4,5-bis-(4-fluoro-phenyl)-cyclopent-1-ene-1,3-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl (3R,4R,5R)-2-amino-3-cyano-4,5-bis(4-fluorophenyl)-1-cyclopentene-1,3-dicarboxylate Diethyl 2-Amino-r-3-cyano-trans-4,cis-5-di(4-fluorophenyl)-1,3-cyclopentenedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F2N2O4
InChI InChI=1S/C24H22F2N2O4/c1-3-31-22(29)19-18(14-5-9-16(25)10-6-14)20(15-7-11-17(26)12-8-15)24(13-27,21(19)28)23(30)32-4-2/h5-12,18,20H,3-4,28H2,1-2H3/t18-,20+,24-/m1/s1
InChIKey WSTSWPZTLRHAKR-LJFZDNNRSA-N
Molecular Weight 440.447 g/mol
SMILES NC1=C(C(=O)OCC)[C@]([C@@]([C@]1(C(=O)OCC)C#N)(c1ccc(cc1)F)[H])(c1ccc(cc1)F)[H]
SPLASH splash10-0005-0946400000-3f45144f61265b91e492
Source of Spectrum F-55-10705-5
Wiley ID 838982