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Diethyl (3R,4R,5S)-3-Butyl-4-formyl-5-(4-fluorophenyl)pyrrolidine-2,2-dicarboxylate
SpectraBase Compound ID Gj9bHDbynCz
InChI InChI=1S/C21H28FNO5/c1-4-7-8-17-16(13-24)18(14-9-11-15(22)12-10-14)23-21(17,19(25)27-5-2)20(26)28-6-3/h9-13,16-18,23H,4-8H2,1-3H3/t16-,17-,18-/m1/s1
InChIKey SSNXSLGJTUQWFV-KZNAEPCWSA-N
Mol Weight 393.46 g/mol
Molecular Formula C21H28FNO5
Exact Mass 393.195151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2lv6kUD3I2
Name Diethyl (3R,4R,5S)-3-Butyl-4-formyl-5-(4-fluorophenyl)pyrrolidine-2,2-dicarboxylate
Alternate Name(s) (3R,4R,5S)-diethyl 3-butyl-5-(4-fluorophenyl)-4-formylpyrrolidine-2,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28FNO5
InChI InChI=1S/C21H28FNO5/c1-4-7-8-17-16(13-24)18(14-9-11-15(22)12-10-14)23-21(17,19(25)27-5-2)20(26)28-6-3/h9-13,16-18,23H,4-8H2,1-3H3/t16-,17-,18-/m1/s1
InChIKey SSNXSLGJTUQWFV-KZNAEPCWSA-N
Molecular Weight 393.455 g/mol
SMILES N1[C@@]([C@@]([C@](C1(C(=O)OCC)C(=O)OCC)(CCCC)[H])(C=O)[H])(c1ccc(cc1)F)[H]
SPLASH splash10-00di-0129000000-c758ced84f9149942f95
Source of Spectrum F4-45-2675-4j
Wiley ID 1737171