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Proline, 4-nitro-1,3,5-triphenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.,5.beta.)-
SpectraBase Compound ID 6zgEUntqMfj
InChI InChI=1S/C24H22N2O4/c1-30-24(27)23-20(17-11-5-2-6-12-17)22(26(28)29)21(18-13-7-3-8-14-18)25(23)19-15-9-4-10-16-19/h2-16,20-23H,1H3/t20-,21-,22-,23+/m1/s1
InChIKey VCMSDDQRLLPCPE-ODAXIHTASA-N
Mol Weight 402.45 g/mol
Molecular Formula C24H22N2O4
Exact Mass 402.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6BeCnBzjI9
Name Proline, 4-nitro-1,3,5-triphenyl-, methyl ester, (2.alpha.,3.alpha.,4.beta.,5.beta.)-
Alternate Name(s) Anti-4-endo methyl 1,3,5-triphenyl-4-nitropyrrolidin-2-carboxylate Methyl (2S,3S,4R,5R)-4-nitro-1,3,5-triphenyl-2-pyrrolidinecarboxylate
CAS Registry Number 111098-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O4
InChI InChI=1S/C24H22N2O4/c1-30-24(27)23-20(17-11-5-2-6-12-17)22(26(28)29)21(18-13-7-3-8-14-18)25(23)19-15-9-4-10-16-19/h2-16,20-23H,1H3/t20-,21-,22-,23+/m1/s1
InChIKey VCMSDDQRLLPCPE-ODAXIHTASA-N
Molecular Weight 402.450 g/mol
SMILES [C@@]1([C@]([C@@](C(=O)OC)(N([C@@]1(c1ccccc1)[H])c1ccccc1)[H])(c1ccccc1)[H])(N(=O)=O)[H]
SPLASH splash10-0f6t-1293400000-c9f8fccbfdbd55916536
Source of Spectrum AJ-60-4076-16
Wiley ID 1370467