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(6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID DYUR792bRdd
InChI InChI=1S/C23H18N6O4S/c1-12-6-7-16(29(31)32)11-18(12)27-13(2)9-15(14(27)3)10-17-20(24)28-23(25-21(17)30)34-22(26-28)19-5-4-8-33-19/h4-11,24H,1-3H3/b17-10+,24-20?
InChIKey NFFNSIRXZHJTGG-PWSGBSGUSA-N
Mol Weight 474.5 g/mol
Molecular Formula C23H18N6O4S
Exact Mass 474.111024 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4uWp36wBbDP
Name (6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-(2-furyl)-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/C23H18N6O4S/c1-12-6-7-16(29(31)32)11-18(12)27-13(2)9-15(14(27)3)10-17-20(24)28-23(25-21(17)30)34-22(26-28)19-5-4-8-33-19/h4-11,24H,1-3H3/b17-10+,24-20?
InChIKey NFFNSIRXZHJTGG-PWSGBSGUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4177
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: E01085; Labnumber: CEP4-1616; SBI_ID: SBI-004179
Synonyms 6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C