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Diethyl [(2R,3S,4R)-N-(methoxycarbonyl)-4-benzyl-2-(ethoxycarbonyl)pyrrolidine-3-yl]malonate
SpectraBase Compound ID CY5iBoLetVX
InChI InChI=1S/C23H31NO8/c1-5-30-20(25)18(21(26)31-6-2)17-16(13-15-11-9-8-10-12-15)14-24(23(28)29-4)19(17)22(27)32-7-3/h8-12,16-19H,5-7,13-14H2,1-4H3/t16-,17-,19+/m0/s1
InChIKey MDURSXKUGPGEHW-JENIJYKNSA-N
Mol Weight 449.5 g/mol
Molecular Formula C23H31NO8
Exact Mass 449.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABs4kZ3u43v
Name Diethyl [(2R,3S,4R)-N-(methoxycarbonyl)-4-benzyl-2-(ethoxycarbonyl)pyrrolidine-3-yl]malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO8
InChI InChI=1S/C23H31NO8/c1-5-30-20(25)18(21(26)31-6-2)17-16(13-15-11-9-8-10-12-15)14-24(23(28)29-4)19(17)22(27)32-7-3/h8-12,16-19H,5-7,13-14H2,1-4H3/t16-,17-,19+/m0/s1
InChIKey MDURSXKUGPGEHW-JENIJYKNSA-N
Molecular Weight 449.500 g/mol
SMILES [C@@]1(N(C[C@@]([C@]1(C(C(=O)OCC)C(=O)OCC)[H])(Cc1ccccc1)[H])C(=O)OC)(C(=O)OCC)[H]
SPLASH splash10-0006-9100000000-f0a93ec556bc6ddea571
Source of Spectrum QC-7-2619-11
Synonyms 2-Ethyl 1-methyl (2R,3S,4R)-4-benzyl-3-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-1,2-pyrrolidinedicarboxylate Diethyl[(2R,3S,4R)-N-(methoxycarbonyl)-4-benzyl-2-(ethoxycarbonyl)pyrroline-3-yl]malonate
Wiley ID 869434