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2,5-Diethyl 3,4-dimethyl 1-(1-phenylethyl)pyrrolidine-2,3,4,5-tetracarboxylate isomer
SpectraBase Compound ID KdHFcKf0K6b
InChI InChI=1S/C22H29NO8/c1-6-30-21(26)17-15(19(24)28-4)16(20(25)29-5)18(22(27)31-7-2)23(17)13(3)14-11-9-8-10-12-14/h8-13,15-18H,6-7H2,1-5H3/t13-,15+,16+,17+,18+/m1/s1
InChIKey BQXRTZYXRDBWKT-QSGXVVIFSA-N
Mol Weight 435.47 g/mol
Molecular Formula C22H29NO8
Exact Mass 435.189317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XcJ7h97IjH
Name 2,5-Diethyl 3,4-dimethyl 1-(1-phenylethyl)pyrrolidine-2,3,4,5-tetracarboxylate isomer
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Formula C22H29NO8
InChI InChI=1S/C22H29NO8/c1-6-30-21(26)17-15(19(24)28-4)16(20(25)29-5)18(22(27)31-7-2)23(17)13(3)14-11-9-8-10-12-14/h8-13,15-18H,6-7H2,1-5H3/t13-,15+,16+,17+,18+/m1/s1
InChIKey BQXRTZYXRDBWKT-QSGXVVIFSA-N
Molecular Weight 435.473 g/mol
SMILES [C@]1(N([C@@]([C@]([C@@]1(C(=O)OC)[H])(C(=O)OC)[H])(C(=O)OCC)[H])[C@@](c1ccccc1)(C)[H])(C(=O)OCC)[H]
SPLASH splash10-0bu0-0609100000-ac0cdee56454dcb83711
Source of Spectrum SO-0-1293-3
Synonyms (2S,3S,4S,5S)-1-((R)-1-Phenyl-ethyl)-pyrrolidine-2,3,4,5-tetracarboxylic acid diethyl ester dimethyl ester
Wiley ID 875033