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Proline, 1-methyl-4-nitro-3,5-diphenyl-, ethyl ester, (2.alpha.,3.alpha.,4.beta.,5.beta.)-
SpectraBase Compound ID 4WDxylaUKDH
InChI InChI=1S/C20H22N2O4/c1-3-26-20(23)19-16(14-10-6-4-7-11-14)18(22(24)25)17(21(19)2)15-12-8-5-9-13-15/h4-13,16-19H,3H2,1-2H3/t16-,17-,18-,19+/m1/s1
InChIKey YOGPZSAKPXQKKR-MKXGPGLRSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyeZZWaVTrr
Name Proline, 1-methyl-4-nitro-3,5-diphenyl-, ethyl ester, (2.alpha.,3.alpha.,4.beta.,5.beta.)-
CAS Registry Number 111098-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-3-26-20(23)19-16(14-10-6-4-7-11-14)18(22(24)25)17(21(19)2)15-12-8-5-9-13-15/h4-13,16-19H,3H2,1-2H3/t16-,17-,18-,19+/m1/s1
InChIKey YOGPZSAKPXQKKR-MKXGPGLRSA-N
Molecular Weight 354.406 g/mol
SMILES [C@@]1([C@]([C@@](C(=O)OCC)(N([C@@]1(c1ccccc1)[H])C)[H])(c1ccccc1)[H])(N(=O)=O)[H]
SPLASH splash10-001i-1090000000-78538cea0ee6f68d79be
Source of Spectrum AJ-60-4076-16
Synonyms Anti-4-endo ethyl 3,5-diphenyl-4-nitro-1-methylpyrrolidin-2-carboxylate Ethyl (2S,3S,4R,5R)-1-methyl-4-nitro-3,5-diphenyl-2-pyrrolidinecarboxylate
Wiley ID 1344608