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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-, methyl ester

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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-, methyl ester
SpectraBase Compound ID J3ccLZZKCWP
InChI InChI=1S/C17H19FN8O3/c1-28-17(27)14-13(26(23-20-14)16-15(19)21-29-22-16)10-24-6-8-25(9-7-24)12-4-2-11(18)3-5-12/h2-5H,6-10H2,1H3,(H2,19,21)
InChIKey DRJJHCAFJWOVEV-UHFFFAOYSA-N
Mol Weight 402.39 g/mol
Molecular Formula C17H19FN8O3
Exact Mass 402.156415 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LsqZVKC6iHB
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-, methyl ester
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/C17H19FN8O3/c1-28-17(27)14-13(26(23-20-14)16-15(19)21-29-22-16)10-24-6-8-25(9-7-24)12-4-2-11(18)3-5-12/h2-5H,6-10H2,1H3,(H2,19,21)
InChIKey DRJJHCAFJWOVEV-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1559
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: NMR/9211465; Labnumber: L-19,Rozhkov
Temperature 297 °C