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3-[4',4'-Dimethyl-2'-[2''-oxo-2''-(p-chlorophenyl)ethylidene]-pyrrolidin-1'-yl}propionic acid
SpectraBase Compound ID 6tnA1UgbHcC
InChI InChI=1S/C17H20ClNO3/c1-17(2)10-14(19(11-17)8-7-16(21)22)9-15(20)12-3-5-13(18)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22)/b14-9+
InChIKey QXLVUKLDFPWMJM-NTEUORMPSA-N
Mol Weight 321.8 g/mol
Molecular Formula C17H20ClNO3
Exact Mass 321.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0IGBR28sgV
Name 3-[4',4'-Dimethyl-2'-[2''-oxo-2''-(p-chlorophenyl)ethylidene]-pyrrolidin-1'-yl}propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20ClNO3
InChI InChI=1S/C17H20ClNO3/c1-17(2)10-14(19(11-17)8-7-16(21)22)9-15(20)12-3-5-13(18)6-4-12/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,22)/b14-9+
InChIKey QXLVUKLDFPWMJM-NTEUORMPSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 321.804 g/mol
SMILES OC(CCN1\C(CC(C1)(C)C)=C/C(=O)c1ccc(cc1)Cl)=O
SPLASH splash10-0a4i-0329000000-9706ac6868f57db8d2d4
Source of Spectrum APP-330-80-4s
Synonyms 3(2-[2-(4-Chloro-phenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl)-propionic acid 3-{(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4,4-dimethylpyrrolidinyl}propanoic acid 3-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4,4-dimethyl-1-pyrrolidinyl]propanoic acid 3-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4,4-dimethylpyrrolidin-1-yl]propanoic acid (E)-3-(2-(2-(4-chlorophenyl)-2-oxoethylidene)-4,4-dimethylpyrrolidin-1-yl)propanoic acid 3-[(2E)-2-[2-(4-chlorophenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid 3-[(2E)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]propanoic acid
Wiley ID 1770177