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rac-2-(But-3-en-1-yl)-1-(carboxymethyl)-2-(3,4-dimethoxyphenyl)-3-oxopyrrolidin-1-ium 2,2,2-Trifluoroacetate
SpectraBase Compound ID 6pZ3PIgAbJx
InChI InChI=1S/C18H23NO5/c1-4-5-9-18(16(20)8-10-19(18)12-17(21)22)13-6-7-14(23-2)15(11-13)24-3/h4,6-7,11H,1,5,8-10,12H2,2-3H3,(H,21,22)
InChIKey QWQVTHYCWQJHGT-UHFFFAOYSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBoSvT7ztn7
Name rac-2-(But-3-en-1-yl)-1-(carboxymethyl)-2-(3,4-dimethoxyphenyl)-3-oxopyrrolidin-1-ium 2,2,2-Trifluoroacetate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-4-5-9-18(16(20)8-10-19(18)12-17(21)22)13-6-7-14(23-2)15(11-13)24-3/h4,6-7,11H,1,5,8-10,12H2,2-3H3,(H,21,22)
InChIKey QWQVTHYCWQJHGT-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801479
Molecular Weight 333.384 g/mol
Reported Formula C18H24NO5
SMILES OC(CN1C(CCC=C)(C(CC1)=O)c1cc(c(cc1)OC)OC)=O
SPLASH splash10-0ufr-0291000000-226366e6eaab4048f77e
Source of Spectrum U1-2019-145-16
Wiley ID 1843579