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3-[(4-chlorophenoxy)methyl]-7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
SpectraBase Compound ID srT1VSlZYY
InChI InChI=1S/C20H15ClN6O/c1-13-3-2-4-15(9-13)27-19-17(10-23-27)20-25-24-18(26(20)12-22-19)11-28-16-7-5-14(21)6-8-16/h2-10,12H,11H2,1H3
InChIKey KKHAIPORJWEGHE-UHFFFAOYSA-N
Mol Weight 390.83 g/mol
Molecular Formula C20H15ClN6O
Exact Mass 390.099587 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ty8qp8zc4C
Name 3-[(4-chlorophenoxy)methyl]-7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-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/C20H15ClN6O/c1-13-3-2-4-15(9-13)27-19-17(10-23-27)20-25-24-18(26(20)12-22-19)11-28-16-7-5-14(21)6-8-16/h2-10,12H,11H2,1H3
InChIKey KKHAIPORJWEGHE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17971
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: D31523; Labnumber: RRMEZ-1092; SBI_ID: SBI-017974
Synonyms 4-chlorophenyl [7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]methyl ether
Temperature 318 °C