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Diethyl (3R,4R,5S)-4-Formyl-3-isopropyl-5-(2-tolyl)pyrrolidine-2,2-dicarboxylate
SpectraBase Compound ID BdKlvVKRmGR
InChI InChI=1S/C21H29NO5/c1-6-26-19(24)21(20(25)27-7-2)17(13(3)4)16(12-23)18(22-21)15-11-9-8-10-14(15)5/h8-13,16-18,22H,6-7H2,1-5H3/t16-,17-,18-/m1/s1
InChIKey LMTBYXUMAFTNQS-KZNAEPCWSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOUZRZxEcss
Name Diethyl (3R,4R,5S)-4-Formyl-3-isopropyl-5-(2-tolyl)pyrrolidine-2,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-6-26-19(24)21(20(25)27-7-2)17(13(3)4)16(12-23)18(22-21)15-11-9-8-10-14(15)5/h8-13,16-18,22H,6-7H2,1-5H3/t16-,17-,18-/m1/s1
InChIKey LMTBYXUMAFTNQS-KZNAEPCWSA-N
Molecular Weight 375.465 g/mol
SMILES N1[C@@]([C@@]([C@](C1(C(=O)OCC)C(=O)OCC)(C(C)C)[H])(C=O)[H])(c1c(C)cccc1)[H]
SPLASH splash10-0udi-0129000000-18f74c7cce936d7ba69c
Source of Spectrum F4-45-2674-4h
Synonyms (3R,4R,5S)-diethyl 4-formyl-3-isopropyl-5-(o-tolyl)pyrrolidine-2,2-dicarboxylate
Wiley ID 1737174