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(3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
SpectraBase Compound ID 3u0DHwhr66i
InChI InChI=1S/C18H18N2O4/c21-18(22)17-12-19(10-13-4-2-1-3-5-13)11-16(17)14-6-8-15(9-7-14)20(23)24/h1-9,16-17H,10-12H2,(H,21,22)/t16-,17+/m1/s1
InChIKey ZDZWKJQDJXYMGU-SJORKVTESA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AkIhPO4iOz
Name (3R,4S)-1-benzyl-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
Alternate Name(s) (3R,4S)-4-(4-nitrophenyl)-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid (3R,4S)-4-(4-nitrophenyl)-1-(phenylmethyl)pyrrolidine-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c21-18(22)17-12-19(10-13-4-2-1-3-5-13)11-16(17)14-6-8-15(9-7-14)20(23)24/h1-9,16-17H,10-12H2,(H,21,22)/t16-,17+/m1/s1
InChIKey ZDZWKJQDJXYMGU-SJORKVTESA-N
Molecular Weight 326.352 g/mol
SMILES OC([C@@]1([C@](CN(C1)Cc1ccccc1)(c1ccc(N(=O)=O)cc1)[H])[H])=O
SPLASH splash10-0006-9231000000-b303a5932f2abe3ceeca
Source of Spectrum E1-36-4145-18
Wiley ID 1574838