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4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-fluorobenzoate
SpectraBase Compound ID LIbaH4vQKRa
InChI InChI=1S/C20H13FN4O3S2/c1-29-20-24-30-19-23-17(26)15(16(22)25(19)20)10-11-2-8-14(9-3-11)28-18(27)12-4-6-13(21)7-5-12/h2-10,22H,1H3/b15-10-,22-16?
InChIKey JPFZTTKKCHFVEV-BMXNGJOMSA-N
Mol Weight 440.47 g/mol
Molecular Formula C20H13FN4O3S2
Exact Mass 440.041311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H9dlHd18fof
Name 4-[(Z)-(5-imino-3-(methylsulfanyl)-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene)methyl]phenyl 4-fluorobenzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.041310803 u
Formula C20H13FN4O3S2
InChI InChI=1S/C20H13FN4O3S2/c1-29-20-24-30-19-23-17(26)15(16(22)25(19)20)10-11-2-8-14(9-3-11)28-18(27)12-4-6-13(21)7-5-12/h2-10,22H,1H3/b15-10-,22-16?
InChIKey JPFZTTKKCHFVEV-BMXNGJOMSA-N
Molecular Weight 440.467 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_181
Solvent DMSO-d6
Source Vendor ID: NMR/12259839