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(6Z)-5-imino-3-(methylsulfanyl)-6-{[5-(3-nitrophenyl)-2-furyl]methylene}-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SpectraBase Compound ID K9HwNkRqKGo
InChI InChI=1S/C17H11N5O4S2/c1-27-17-20-28-16-19-15(23)12(14(18)21(16)17)8-11-5-6-13(26-11)9-3-2-4-10(7-9)22(24)25/h2-8,18H,1H3/b12-8-,18-14?
InChIKey KEIOWSLETNGOCV-PEMMUPCOSA-N
Mol Weight 413.43 g/mol
Molecular Formula C17H11N5O4S2
Exact Mass 413.025246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GyLdqYCICJ9
Name (6Z)-5-imino-3-(methylsulfanyl)-6-{[5-(3-nitrophenyl)-2-furyl]methylene}-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 413.025246198 u
Formula C17H11N5O4S2
InChI InChI=1S/C17H11N5O4S2/c1-27-17-20-28-16-19-15(23)12(14(18)21(16)17)8-11-5-6-13(26-11)9-3-2-4-10(7-9)22(24)25/h2-8,18H,1H3/b12-8-,18-14?
InChIKey KEIOWSLETNGOCV-PEMMUPCOSA-N
Molecular Weight 413.426 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_152
Solvent DMSO-d6
Source Vendor ID: NMR/12259809