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{4,4-Dimethyl-2-[2'-oxo-2'-(4"-<methanosulfonyl>phenyl)ethylidene]-pyrrolidin-1'-yl}acetic acid
SpectraBase Compound ID Kvi8oF9yktd
InChI InChI=1S/C17H21NO5S/c1-17(2)9-13(18(11-17)10-16(20)21)8-15(19)12-4-6-14(7-5-12)24(3,22)23/h4-8H,9-11H2,1-3H3,(H,20,21)/b13-8+
InChIKey PKQZVLQZTYRMKK-MDWZMJQESA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9GCOsg2eJv
Name {4,4-Dimethyl-2-[2'-oxo-2'-(4"-phenyl)ethylidene]-pyrrolidin-1'-yl}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5S
InChI InChI=1S/C17H21NO5S/c1-17(2)9-13(18(11-17)10-16(20)21)8-15(19)12-4-6-14(7-5-12)24(3,22)23/h4-8H,9-11H2,1-3H3,(H,20,21)/b13-8+
InChIKey PKQZVLQZTYRMKK-MDWZMJQESA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 351.417 g/mol
SMILES OC(CN1\C(CC(C1)(C)C)=C/C(=O)c1ccc(cc1)S(=O)(=O)C)=O
SPLASH splash10-006x-2900000000-f9cd8981aa071c77fe2f
Source of Spectrum APP-330-79-4k
Synonyms [2-[2-(4-Methanesufonyl-phenyl)-2-oxo-ethylidene]-4,4-dimethylpyrrolidin-1-yl]-acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]acetic acid (E)-2-(4,4-dimethyl-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethylidene)pyrrolidin-1-yl)acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]ethanoic acid
Wiley ID 1770169