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2-[(2-chloro-4-fluorobenzyl)sulfanyl]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

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2-[(2-chloro-4-fluorobenzyl)sulfanyl]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
SpectraBase Compound ID 1FD5VVIb5qh
InChI InChI=1S/C22H17ClFN5O3S/c23-16-10-14(24)7-4-13(16)11-33-22-26-21-25-17-2-1-3-18(30)19(17)20(28(21)27-22)12-5-8-15(9-6-12)29(31)32/h4-10,20H,1-3,11H2,(H,25,26,27)
InChIKey WWZAPKMGQSHRLU-UHFFFAOYSA-N
Mol Weight 485.92 g/mol
Molecular Formula C22H17ClFN5O3S
Exact Mass 485.072466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ftz3YeUXyY
Name 2-[(2-chloro-4-fluorobenzyl)sulfanyl]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.072466461 u
Formula C22H17ClFN5O3S
InChI InChI=1S/C22H17ClFN5O3S/c23-16-10-14(24)7-4-13(16)11-33-22-26-21-25-17-2-1-3-18(30)19(17)20(28(21)27-22)12-5-8-15(9-6-12)29(31)32/h4-10,20H,1-3,11H2,(H,25,26,27)
InChIKey WWZAPKMGQSHRLU-UHFFFAOYSA-N
Molecular Weight 485.921 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9905
Solvent DMSO-d6
Source Vendor ID: NMR/13238015