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benzenesulfonic acid, 4-fluoro-, 2-methoxy-4-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]phenyl ester

View entire compound with spectra: 1 NMR

benzenesulfonic acid, 4-fluoro-, 2-methoxy-4-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]phenyl ester
SpectraBase Compound ID ETDMUZNDn1n
InChI InChI=1S/C20H17FN2O7S/c1-22-18(24)15(19(25)23(2)20(22)26)10-12-4-9-16(17(11-12)29-3)30-31(27,28)14-7-5-13(21)6-8-14/h4-11H,1-3H3
InChIKey MSTLGIGFKQTUQT-UHFFFAOYSA-N
Mol Weight 448.42 g/mol
Molecular Formula C20H17FN2O7S
Exact Mass 448.07405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B30vYXQ3dfk
Name benzenesulfonic acid, 4-fluoro-, 2-methoxy-4-[(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]phenyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.074050225 u
Formula C20H17FN2O7S
InChI InChI=1S/C20H17FN2O7S/c1-22-18(24)15(19(25)23(2)20(22)26)10-12-4-9-16(17(11-12)29-3)30-31(27,28)14-7-5-13(21)6-8-14/h4-11H,1-3H3
InChIKey MSTLGIGFKQTUQT-UHFFFAOYSA-N
Molecular Weight 448.421 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2234
Solvent DMSO-d6
Source Vendor ID: ZI/7109434; Lab Number: SAD-e000031
Temperature 29.85 °C