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3-(Trifluoromethyl)phenyl 4-(2,5-dioxo-1-pyrrolidinyl)benzenesulfonate
SpectraBase Compound ID CSmE5P2QRHR
InChI InChI=1S/C17H12F3NO5S/c18-17(19,20)11-2-1-3-13(10-11)26-27(24,25)14-6-4-12(5-7-14)21-15(22)8-9-16(21)23/h1-7,10H,8-9H2
InChIKey ZHVAOQYPIVBOBQ-UHFFFAOYSA-N
Mol Weight 399.34 g/mol
Molecular Formula C17H12F3NO5S
Exact Mass 399.038828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzSuqg0hRk0
Name 3-(Trifluoromethyl)phenyl 4-(2,5-dioxo-1-pyrrolidinyl)benzenesulfonate
Alternate Name(s) 3-(Trifluoromethyl)phenyl 4-(2,5-dioxotetrahydro-1H-pyrrol-1-yl)benzene-1-sulfonate 4-(2,5-dioxo-1-pyrrolidinyl)benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester [3-(trifluoromethyl)phenyl] 4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonate [3-(trifluoromethyl)phenyl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzenesulfonate
CAS Registry Number 289657-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F3NO5S
InChI InChI=1S/C17H12F3NO5S/c18-17(19,20)11-2-1-3-13(10-11)26-27(24,25)14-6-4-12(5-7-14)21-15(22)8-9-16(21)23/h1-7,10H,8-9H2
InChIKey ZHVAOQYPIVBOBQ-UHFFFAOYSA-N
Molecular Weight 399.340 g/mol
SMILES c1ccc(C(F)(F)F)cc1OS(c1ccc(N2C(CCC2=O)=O)cc1)(=O)=O
SPLASH splash10-0079-4940000000-c279d03956afe43e030d
Source of Spectrum AD-0-2532-0
Wiley ID 1433178