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Ethyl [(2R,3S,4R)-N-(methoxycarbonyl)-4-benzyl-2-(ethoxycarbonyl)pyrrolidine-3-yl]acetylacetate
SpectraBase Compound ID E7nW3zaLAGF
InChI InChI=1S/C22H29NO7/c1-5-29-20(25)17(14(3)24)18-16(12-15-10-8-7-9-11-15)13-23(22(27)28-4)19(18)21(26)30-6-2/h7-11,16-19H,5-6,12-13H2,1-4H3/t16-,17?,18-,19+/m0/s1
InChIKey QMXLDUUDJJPOTH-QBUWPKIASA-N
Mol Weight 419.47 g/mol
Molecular Formula C22H29NO7
Exact Mass 419.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID La0o49mYZZ1
Name Ethyl [(2R,3S,4R)-N-(methoxycarbonyl)-4-benzyl-2-(ethoxycarbonyl)pyrrolidine-3-yl]acetylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO7
InChI InChI=1S/C22H29NO7/c1-5-29-20(25)17(14(3)24)18-16(12-15-10-8-7-9-11-15)13-23(22(27)28-4)19(18)21(26)30-6-2/h7-11,16-19H,5-6,12-13H2,1-4H3/t16-,17?,18-,19+/m0/s1
InChIKey QMXLDUUDJJPOTH-QBUWPKIASA-N
Molecular Weight 419.474 g/mol
SMILES [C@@]1(N(C[C@@]([C@]1(C(C(=O)OCC)C(=O)C)[H])(Cc1ccccc1)[H])C(=O)OC)(C(=O)OCC)[H]
SPLASH splash10-0007-9301000000-c17e202dc9fe705e7789
Source of Spectrum QC-7-2620-11
Synonyms 2-Ethyl 1-methyl (2R,3S,4R)-4-benzyl-3-[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]-1,2-pyrrolidinedicarboxylate Ethyl[(2R,3S,4R)-N-(methoxycarbonyl)-4-benzyl-2-(ethoxycarbonyl)pyrroline-3-yl]acetylacetate
Wiley ID 869432