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(6Z)-6-{[5-(3-chloro-4-methylphenyl)-2-furyl]methylene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID 8HmLttsgahl
InChI InChI=1S/C18H13ClN4O2S2/c1-9-3-4-10(7-13(9)19)14-6-5-11(25-14)8-12-15(20)23-17(21-16(12)24)27-22-18(23)26-2/h3-8,20H,1-2H3/b12-8-,20-15?
InChIKey LJBLIFBKAZWZNB-ULUISBJDSA-N
Mol Weight 416.9 g/mol
Molecular Formula C18H13ClN4O2S2
Exact Mass 416.016846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5hOzCUKOLz0
Name (6Z)-6-{[5-(3-chloro-4-methylphenyl)-2-furyl]methylene}-5-imino-3-(methylsulfanyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-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 416.016845721 u
Formula C18H13ClN4O2S2
InChI InChI=1S/C18H13ClN4O2S2/c1-9-3-4-10(7-13(9)19)14-6-5-11(25-14)8-12-15(20)23-17(21-16(12)24)27-22-18(23)26-2/h3-8,20H,1-2H3/b12-8-,20-15?
InChIKey LJBLIFBKAZWZNB-ULUISBJDSA-N
Molecular Weight 416.901 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_130
Solvent DMSO-d6
Source Vendor ID: NMR/12259787