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3-[2-[2-(4-methanesulfonylphenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]-propionic acid
SpectraBase Compound ID 8aK2xn9Fhpp
InChI InChI=1S/C18H23NO5S/c1-18(2)11-14(19(12-18)9-8-17(21)22)10-16(20)13-4-6-15(7-5-13)25(3,23)24/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,22)/b14-10-
InChIKey SQGQSNXXKCQCLB-UVTDQMKNSA-N
Mol Weight 365.44 g/mol
Molecular Formula C18H23NO5S
Exact Mass 365.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOF69eUipSA
Name 3-[2-[2-(4-methanesulfonylphenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]-propionic acid
Alternate Name(s) (Z)-3-(4,4-dimethyl-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethylidene)pyrrolidin-1-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO5S
InChI InChI=1S/C18H23NO5S/c1-18(2)11-14(19(12-18)9-8-17(21)22)10-16(20)13-4-6-15(7-5-13)25(3,23)24/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,22)/b14-10-
InChIKey SQGQSNXXKCQCLB-UVTDQMKNSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 365.444 g/mol
SMILES OC(CCN1\C(CC(C1)(C)C)=C\C(=O)c1ccc(cc1)S(C)(=O)=O)=O
SPLASH splash10-0002-9000000000-276f5c899442704dd02a
Source of Spectrum APP-330-80-4y
Wiley ID 1770182