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ethyl 5-methyl-7-(3-nitrophenyl)-2-(4-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID COSuwd1APKM
InChI InChI=1S/C20H18N6O4/c1-3-30-19(27)16-12(2)22-20-23-18(13-7-9-21-10-8-13)24-25(20)17(16)14-5-4-6-15(11-14)26(28)29/h4-11,17H,3H2,1-2H3,(H,22,23,24)
InChIKey IHXFSSCETBZFCV-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C20H18N6O4
Exact Mass 406.138953 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2AafFsk03RF
Name ethyl 5-methyl-7-(3-nitrophenyl)-2-(4-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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/C20H18N6O4/c1-3-30-19(27)16-12(2)22-20-23-18(13-7-9-21-10-8-13)24-25(20)17(16)14-5-4-6-15(11-14)26(28)29/h4-11,17H,3H2,1-2H3,(H,22,23,24)
InChIKey IHXFSSCETBZFCV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32306
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: 1847477; SBI_ID: SBI-032310
Temperature 315 °C