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1-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,5-pyrrolidinedione
SpectraBase Compound ID 6Gu0X9ERj9t
InChI InChI=1S/C21H15ClFN5O2/c22-14-5-1-12(2-6-14)16-11-17(13-3-7-15(23)8-4-13)28-20(24-16)25-21(26-28)27-18(29)9-10-19(27)30/h1-8,11,17H,9-10H2,(H,24,25,26)
InChIKey MJURWJCDNQIWIS-UHFFFAOYSA-N
Mol Weight 423.84 g/mol
Molecular Formula C21H15ClFN5O2
Exact Mass 423.089831 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vTInfAJgLR
Name 1-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[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/C21H15ClFN5O2/c22-14-5-1-12(2-6-14)16-11-17(13-3-7-15(23)8-4-13)28-20(24-16)25-21(26-28)27-18(29)9-10-19(27)30/h1-8,11,17H,9-10H2,(H,24,25,26)
InChIKey MJURWJCDNQIWIS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3200
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: D09675; Labnumber: RRVCH-1040; SBI_ID: SBI-003202
Temperature 315 °C