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(2S,3S,4R,5S)-Methyl 3-(3-bromophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate
SpectraBase Compound ID G17tiz6FGK2
InChI InChI=1S/C18H17BrN2O4/c1-25-18(22)16-14(12-8-5-9-13(19)10-12)17(21(23)24)15(20-16)11-6-3-2-4-7-11/h2-10,14-17,20H,1H3/t14-,15-,16-,17+/m0/s1
InChIKey XLVUFEKXSZUQRP-LUKYLMHMSA-N
Mol Weight 405.25 g/mol
Molecular Formula C18H17BrN2O4
Exact Mass 404.03717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO10u9ps5xP
Name (2S,3S,4R,5S)-Methyl 3-(3-bromophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O4
InChI InChI=1S/C18H17BrN2O4/c1-25-18(22)16-14(12-8-5-9-13(19)10-12)17(21(23)24)15(20-16)11-6-3-2-4-7-11/h2-10,14-17,20H,1H3/t14-,15-,16-,17+/m0/s1
InChIKey XLVUFEKXSZUQRP-LUKYLMHMSA-N
Molecular Weight 405.248 g/mol
SMILES N1[C@]([C@@]([C@]([C@]1(C(OC)=O)[H])(c1cccc(c1)Br)[H])([N+](=O)[O-])[H])(c1ccccc1)[H]
SPLASH splash10-00r7-0981000000-6d9670340dcb867a73c1
Source of Spectrum ASC-356-3861/SM4-18f
Wiley ID 1769768