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benzoic acid, 4-fluoro-, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester
SpectraBase Compound ID LGlw2HZZBsk
InChI InChI=1S/C23H19FN4O4S/c1-3-4-19-27-28-20(25)16(21(29)26-23(28)33-19)11-13-5-10-17(18(12-13)31-2)32-22(30)14-6-8-15(24)9-7-14/h5-12,25H,3-4H2,1-2H3/b16-11-,25-20?
InChIKey SCRAXQPDWBSFGT-LXEXHQCYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C23H19FN4O4S
Exact Mass 466.111104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FkaC1BrnzfX
Name benzoic acid, 4-fluoro-, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.111104441 u
Formula C23H19FN4O4S
InChI InChI=1S/C23H19FN4O4S/c1-3-4-19-27-28-20(25)16(21(29)26-23(28)33-19)11-13-5-10-17(18(12-13)31-2)32-22(30)14-6-8-15(24)9-7-14/h5-12,25H,3-4H2,1-2H3/b16-11-,25-20?
InChIKey SCRAXQPDWBSFGT-LXEXHQCYSA-N
Molecular Weight 466.487 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17047
Solvent DMSO-d6
Source Vendor ID: ZI/10032732; Lab Info: CEP; Lab Number: CEP-6700319