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4(3H)-quinazolinone, 2-[[(6-chloro-3,4-dihydro-4-oxo-2-quinazolinyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID BDjMzXBIMdk
InChI InChI=1S/C24H14ClF3N4O2S/c25-14-8-9-19-17(11-14)21(33)31-23(30-19)35-12-20-29-18-7-2-1-6-16(18)22(34)32(20)15-5-3-4-13(10-15)24(26,27)28/h1-11H,12H2,(H,30,31,33)
InChIKey DIJBCUAZRQAOCN-UHFFFAOYSA-N
Mol Weight 514.91 g/mol
Molecular Formula C24H14ClF3N4O2S
Exact Mass 514.047809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G5lHqsi6BKw
Name 4(3H)-quinazolinone, 2-[[(6-chloro-3,4-dihydro-4-oxo-2-quinazolinyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.047809068 u
Formula C24H14ClF3N4O2S
InChI InChI=1S/C24H14ClF3N4O2S/c25-14-8-9-19-17(11-14)21(33)31-23(30-19)35-12-20-29-18-7-2-1-6-16(18)22(34)32(20)15-5-3-4-13(10-15)24(26,27)28/h1-11H,12H2,(H,30,31,33)
InChIKey DIJBCUAZRQAOCN-UHFFFAOYSA-N
Molecular Weight 514.910 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15711
Solvent DMSO-d6
Source Vendor ID: NMR/10311780; Lab Info: TRO; Lab Number: TRO-0000304