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rac-N-(tert-Butoxycarbonylmethyl)-2-(but-3-en-1-yl)-2-(3,4-dimethoxyphenyl)pyrrolidin-3-one
SpectraBase Compound ID 4I74CXU8CnU
InChI InChI=1S/C22H31NO5/c1-7-8-12-22(16-9-10-17(26-5)18(14-16)27-6)19(24)11-13-23(22)15-20(25)28-21(2,3)4/h7,9-10,14H,1,8,11-13,15H2,2-6H3
InChIKey CYCJACCYRMCITG-UHFFFAOYSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FW50pU1mTe
Name rac-N-(tert-Butoxycarbonylmethyl)-2-(but-3-en-1-yl)-2-(3,4-dimethoxyphenyl)pyrrolidin-3-one
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-7-8-12-22(16-9-10-17(26-5)18(14-16)27-6)19(24)11-13-23(22)15-20(25)28-21(2,3)4/h7,9-10,14H,1,8,11-13,15H2,2-6H3
InChIKey CYCJACCYRMCITG-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801479
Molecular Weight 389.492 g/mol
Reported Formula C22H31NO5
SMILES C(OC(C)(C)C)(=O)CN1C(C(CC1)=O)(c1cc(c(cc1)OC)OC)CCC=C
SPLASH splash10-0w4i-0393000000-d34cf7b570a7f08a6fde
Source of Spectrum U1-2019-145-15
Wiley ID 1843578