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(6E)-2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1QLiV68RHBC
InChI InChI=1S/C25H20FN5OS2/c1-15-11-18(16(2)30(15)20-10-6-9-19(26)13-20)12-21-22(27)31-24(28-23(21)32)34-25(29-31)33-14-17-7-4-3-5-8-17/h3-13,27H,14H2,1-2H3/b21-12+,27-22?
InChIKey YJJXLQPWCZYJKY-AXZYZTBISA-N
Mol Weight 489.59 g/mol
Molecular Formula C25H20FN5OS2
Exact Mass 489.109331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvrWSoWKEoW
Name (6E)-2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H20FN5OS2/c1-15-11-18(16(2)30(15)20-10-6-9-19(26)13-20)12-21-22(27)31-24(28-23(21)32)34-25(29-31)33-14-17-7-4-3-5-8-17/h3-13,27H,14H2,1-2H3/b21-12+,27-22?
InChIKey YJJXLQPWCZYJKY-AXZYZTBISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24506
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D46713; Labnumber: CEP4-1829; SBI_ID: SBI-024510
Synonyms 2-(benzylsulfanyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C