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2-[1-(4-chloro-2,5-difluorobenzoyl)-4-piperidinyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
SpectraBase Compound ID 6WRRtdoaM2c
InChI InChI=1S/C23H20ClF2N5O3S/c1-33-18-8-13-17(10-19(18)34-2)27-23(35)31-21(13)28-20(29-31)11-3-5-30(6-4-11)22(32)12-7-16(26)14(24)9-15(12)25/h7-11H,3-6H2,1-2H3,(H,27,35)
InChIKey KDCFHZRUGRFWDN-UHFFFAOYSA-N
Mol Weight 519.95 g/mol
Molecular Formula C23H20ClF2N5O3S
Exact Mass 519.094345 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jk5YCVMnz8o
Name 2-[1-(4-chloro-2,5-difluorobenzoyl)-4-piperidinyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.094344721 u
Formula C23H20ClF2N5O3S
InChI InChI=1S/C23H20ClF2N5O3S/c1-33-18-8-13-17(10-19(18)34-2)27-23(35)31-21(13)28-20(29-31)11-3-5-30(6-4-11)22(32)12-7-16(26)14(24)9-15(12)25/h7-11H,3-6H2,1-2H3,(H,27,35)
InChIKey KDCFHZRUGRFWDN-UHFFFAOYSA-N
Molecular Weight 519.955 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6978
Solvent DMSO-d6
Source Vendor ID: NMR/12329436