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1,3-dimethyl-6-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}sulfonyl)-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID 2kUG6R9sugC
InChI InChI=1S/C21H21F3N4O4S/c1-25-18-7-6-16(13-17(18)19(29)26(2)20(25)30)33(31,32)28-10-8-27(9-11-28)15-5-3-4-14(12-15)21(22,23)24/h3-7,12-13H,8-11H2,1-2H3
InChIKey AJWMXHHSPKBBRH-UHFFFAOYSA-N
Mol Weight 482.48 g/mol
Molecular Formula C21H21F3N4O4S
Exact Mass 482.123561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6jtKj4NWrB3
Name 1,3-dimethyl-6-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}sulfonyl)-2,4(1H,3H)-quinazolinedione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.123560831 u
Formula C21H21F3N4O4S
InChI InChI=1S/C21H21F3N4O4S/c1-25-18-7-6-16(13-17(18)19(29)26(2)20(25)30)33(31,32)28-10-8-27(9-11-28)15-5-3-4-14(12-15)21(22,23)24/h3-7,12-13H,8-11H2,1-2H3
InChIKey AJWMXHHSPKBBRH-UHFFFAOYSA-N
Molecular Weight 482.478 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4770
Solvent DMSO-d6
Source Vendor ID: NMR/12309860