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2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID HSA3fg2poTb
InChI InChI=1S/C18H16N8O2S/c1-8-5-9(2)20-18-13(8)14-16(29-18)17-21-12(23-25(17)7-19-14)6-24-11(4)15(26(27)28)10(3)22-24/h5,7H,6H2,1-4H3
InChIKey XBVITKOPMLSHFE-UHFFFAOYSA-N
Mol Weight 408.44 g/mol
Molecular Formula C18H16N8O2S
Exact Mass 408.111693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FoN2FjacRSq
Name 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
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/C18H16N8O2S/c1-8-5-9(2)20-18-13(8)14-16(29-18)17-21-12(23-25(17)7-19-14)6-24-11(4)15(26(27)28)10(3)22-24/h5,7H,6H2,1-4H3
InChIKey XBVITKOPMLSHFE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32079
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: 1844551; SBI_ID: SBI-032083
Temperature 306 °C