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Methyl [(2SR,3SR,4SR,5Z)-5-(2'-tert-butoxy-2'-oxoethylidene)-2-cyano-4-(3''-methoxy-3''-oxoprop-1''-yl)-2,3-dimethylpyrolidin-3-yl]acetate

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Methyl [(2SR,3SR,4SR,5Z)-5-(2'-tert-butoxy-2'-oxoethylidene)-2-cyano-4-(3''-methoxy-3''-oxoprop-1''-yl)-2,3-dimethylpyrolidin-3-yl]acetate
SpectraBase Compound ID KpIbIQLi1MJ
InChI InChI=1S/C20H30N2O6/c1-18(2,3)28-16(24)10-14-13(8-9-15(23)26-6)19(4,11-17(25)27-7)20(5,12-21)22-14/h10,13,22H,8-9,11H2,1-7H3/b14-10-/t13-,19+,20-/m1/s1
InChIKey YMONZQWNEOIFPZ-UYOFYAGWSA-N
Mol Weight 394.47 g/mol
Molecular Formula C20H30N2O6
Exact Mass 394.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBd4EkRghQ5
Name Methyl [(2SR,3SR,4SR,5Z)-5-(2'-tert-butoxy-2'-oxoethylidene)-2-cyano-4-(3''-methoxy-3''-oxoprop-1''-yl)-2,3-dimethylpyrolidin-3-yl]acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O6
InChI InChI=1S/C20H30N2O6/c1-18(2,3)28-16(24)10-14-13(8-9-15(23)26-6)19(4,11-17(25)27-7)20(5,12-21)22-14/h10,13,22H,8-9,11H2,1-7H3/b14-10-/t13-,19+,20-/m1/s1
InChIKey YMONZQWNEOIFPZ-UYOFYAGWSA-N
Instrument Name Finnigan MAT 8200 or Finnigan MAT 95 or Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.422
Molecular Weight 394.468 g/mol
Reported Formula C20H30N2O6
SMILES N1\C([C@]([C@@]([C@@]1(C)C#N)(CC(OC)=O)C)(CCC(=O)OC)[H])=C/C(OC(C)(C)C)=O
SPLASH splash10-0170-0392000000-07c041dc4b51019af571
Source of Spectrum ARK-2021-53-rac-17b
Thin-Layer Chromatography Rf = 0.63 (CH2Cl2/EtOAc)
Wiley ID 1873118