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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID 9GEvrYh2mIU
InChI InChI=1S/C19H14ClFN4O2S/c1-9(2)18-24-25-16(22)12(17(26)23-19(25)28-18)8-11-4-6-15(27-11)10-3-5-14(21)13(20)7-10/h3-9,22H,1-2H3/b12-8-,22-16?
InChIKey JKCPEQIRJUXCGR-YTDNRYEMSA-N
Mol Weight 416.86 g/mol
Molecular Formula C19H14ClFN4O2S
Exact Mass 416.051003 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GZUMQbUV8iP
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.051002742 u
Formula C19H14ClFN4O2S
InChI InChI=1S/C19H14ClFN4O2S/c1-9(2)18-24-25-16(22)12(17(26)23-19(25)28-18)8-11-4-6-15(27-11)10-3-5-14(21)13(20)7-10/h3-9,22H,1-2H3/b12-8-,22-16?
InChIKey JKCPEQIRJUXCGR-YTDNRYEMSA-N
Molecular Weight 416.858 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17058
Solvent DMSO-d6
Source Vendor ID: ZI/10033617; Lab Info: CEP; Lab Number: CEP-6700144