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4-{[4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinyl]sulfonyl}phthalic acid, dimethyl ester

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4-{[4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinyl]sulfonyl}phthalic acid, dimethyl ester
SpectraBase Compound ID MC2cE9PDcA
InChI InChI=1S/C21H20F3N3O8S/c1-34-19(28)15-5-4-14(12-16(15)20(29)35-2)36(32,33)26-9-7-25(8-10-26)17-6-3-13(21(22,23)24)11-18(17)27(30)31/h3-6,11-12H,7-10H2,1-2H3
InChIKey WBJYZLWHKWRVHW-UHFFFAOYSA-N
Mol Weight 531.46 g/mol
Molecular Formula C21H20F3N3O8S
Exact Mass 531.09232 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oyvicngJpL
Name 4-{[4-(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)-1-piperazinyl]sulfonyl}phthalic acid, dimethyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F3N3O8S
InChI InChI=1S/C21H20F3N3O8S/c1-34-19(28)15-5-4-14(12-16(15)20(29)35-2)36(32,33)26-9-7-25(8-10-26)17-6-3-13(21(22,23)24)11-18(17)27(30)31/h3-6,11-12H,7-10H2,1-2H3
InChIKey WBJYZLWHKWRVHW-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 39877M
Solvent CDCl3