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N-[7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide
SpectraBase Compound ID KICt5EWRVy1
InChI InChI=1S/C18H13ClN6O4/c19-12-6-4-10(5-7-12)14-9-15(26)20-18-22-17(23-24(14)18)21-16(27)11-2-1-3-13(8-11)25(28)29/h1-8,14H,9H2,(H2,20,21,22,23,26,27)
InChIKey RFCQFNLRBOXFHS-UHFFFAOYSA-N
Mol Weight 412.79 g/mol
Molecular Formula C18H13ClN6O4
Exact Mass 412.068681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5igi6pPtPI1
Name N-[7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide
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/C18H13ClN6O4/c19-12-6-4-10(5-7-12)14-9-15(26)20-18-22-17(23-24(14)18)21-16(27)11-2-1-3-13(8-11)25(28)29/h1-8,14H,9H2,(H2,20,21,22,23,26,27)
InChIKey RFCQFNLRBOXFHS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10340
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: D79421; Labnumber: SC_0026-1055; SBI_ID: SBI-010343
Temperature 306 °C