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1-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,5-pyrrolidinedione
SpectraBase Compound ID 5wRG6svZhOX
InChI InChI=1S/C22H20ClN5O3/c1-31-16-8-4-13(5-9-16)17-12-18(14-2-6-15(23)7-3-14)28-21(24-17)25-22(26-28)27-19(29)10-11-20(27)30/h2-9,17-18H,10-12H2,1H3,(H,24,25,26)
InChIKey NEBCPIVVGSGCRP-UHFFFAOYSA-N
Mol Weight 437.89 g/mol
Molecular Formula C22H20ClN5O3
Exact Mass 437.125467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLSlom4fyiF
Name 1-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,5-pyrrolidinedione
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/C22H20ClN5O3/c1-31-16-8-4-13(5-9-16)17-12-18(14-2-6-15(23)7-3-14)28-21(24-17)25-22(26-28)27-19(29)10-11-20(27)30/h2-9,17-18H,10-12H2,1H3,(H,24,25,26)
InChIKey NEBCPIVVGSGCRP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13016
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: D79338; Labnumber: RRVCHEx-0554; SBI_ID: SBI-013019
Temperature 306 °C