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9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
SpectraBase Compound ID Ch06GcIDOFu
InChI InChI=1S/C19H13F3N6O4S/c1-8-4-12(19(20,21)22)24-18-13(8)14-15(33-18)17(29)26-16(25-14)11-3-2-10(32-11)7-27-6-9(5-23-27)28(30)31/h2-6,16,25H,7H2,1H3,(H,26,29)
InChIKey MNMKYPUHAJAALG-UHFFFAOYSA-N
Mol Weight 478.41 g/mol
Molecular Formula C19H13F3N6O4S
Exact Mass 478.067109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4S8wt96bE7R
Name 9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-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/C19H13F3N6O4S/c1-8-4-12(19(20,21)22)24-18-13(8)14-15(33-18)17(29)26-16(25-14)11-3-2-10(32-11)7-27-6-9(5-23-27)28(30)31/h2-6,16,25H,7H2,1H3,(H,26,29)
InChIKey MNMKYPUHAJAALG-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10194
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: UZI/1031126; Labnumber: JVT4115; UZI_ID: UZI-010196
Temperature 308 °C