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(3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JM9SmU47lxn
InChI InChI=1S/C22H18Cl2N2O4/c1-29-20(27)17-16(12-3-7-14(23)8-4-12)18(13-5-9-15(24)10-6-13)22(11-25,19(17)26)21(28)30-2/h3-10,16,18H,26H2,1-2H3/t16-,18+,22-/m0/s1
InChIKey CSYVIHULWSCYHL-CECAUBDESA-N
Mol Weight 445.3 g/mol
Molecular Formula C22H18Cl2N2O4
Exact Mass 444.064362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjfbMzCvWwE
Name (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate Dimethyl (3S,4S,5S)-2-azanyl-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyanocyclopentene-1,3-dicarboxylic acid dimethyl ester
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Formula C22H18Cl2N2O4
InChI InChI=1S/C22H18Cl2N2O4/c1-29-20(27)17-16(12-3-7-14(23)8-4-12)18(13-5-9-15(24)10-6-13)22(11-25,19(17)26)21(28)30-2/h3-10,16,18H,26H2,1-2H3/t16-,18+,22-/m0/s1
InChIKey CSYVIHULWSCYHL-CECAUBDESA-N
Molecular Weight 445.302 g/mol
SMILES NC1=C(C(=O)OC)[C@@]([C@]([C@@]1(C(=O)OC)C#N)(c1ccc(cc1)Cl)[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-0is4-0327900000-b123ef8e67d05f7f06ea
Source of Spectrum AJ-75-2223-2
Wiley ID 1577200