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(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid
SpectraBase Compound ID AhBHvq618BR
InChI InChI=1S/C18H17Cl2NO2/c19-16-7-6-13(8-17(16)20)14-10-21(11-15(14)18(22)23)9-12-4-2-1-3-5-12/h1-8,14-15H,9-11H2,(H,22,23)/t14-,15+/m1/s1
InChIKey CPNNNTHMABGFLD-CABCVRRESA-N
Mol Weight 350.25 g/mol
Molecular Formula C18H17Cl2NO2
Exact Mass 349.063634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XckLgBUMfe
Name (3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid
Alternate Name(s) (3R,4S)-4-(3,4-dichlorophenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid (3R,4S)-4-(3,4-dichlorophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylic acid
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Formula C18H17Cl2NO2
InChI InChI=1S/C18H17Cl2NO2/c19-16-7-6-13(8-17(16)20)14-10-21(11-15(14)18(22)23)9-12-4-2-1-3-5-12/h1-8,14-15H,9-11H2,(H,22,23)/t14-,15+/m1/s1
InChIKey CPNNNTHMABGFLD-CABCVRRESA-N
Molecular Weight 350.245 g/mol
SMILES OC([C@@]1([C@@](c2cc(Cl)c(cc2)Cl)(CN(C1)Cc1ccccc1)[H])[H])=O
SPLASH splash10-0006-9401000000-062593107bd0f01720c7
Source of Spectrum E1-36-4145-18
Wiley ID 1574839