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(6Z)-6-{[5-(3-chloro-4-fluorophenyl)-2-furyl]methylene}-5-imino-2-(2-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 6lqZfK7RX1c
InChI InChI=1S/C23H14ClFN4O2S/c1-12-4-2-3-5-15(12)22-28-29-20(26)16(21(30)27-23(29)32-22)11-14-7-9-19(31-14)13-6-8-18(25)17(24)10-13/h2-11,26H,1H3/b16-11-,26-20?
InChIKey KOLQQHGCGXIPSB-QAGNQREPSA-N
Mol Weight 464.9 g/mol
Molecular Formula C23H14ClFN4O2S
Exact Mass 464.051003 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlBiaT1U0ob
Name (6Z)-6-{[5-(3-chloro-4-fluorophenyl)-2-furyl]methylene}-5-imino-2-(2-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-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 464.051002742 u
Formula C23H14ClFN4O2S
InChI InChI=1S/C23H14ClFN4O2S/c1-12-4-2-3-5-15(12)22-28-29-20(26)16(21(30)27-23(29)32-22)11-14-7-9-19(31-14)13-6-8-18(25)17(24)10-13/h2-11,26H,1H3/b16-11-,26-20?
InChIKey KOLQQHGCGXIPSB-QAGNQREPSA-N
Molecular Weight 464.902 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_15
Solvent DMSO-d6
Source Vendor ID: NMR/12259659