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1-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,5-pyrrolidinedione
SpectraBase Compound ID AEk7eSegk37
InChI InChI=1S/C21H17Cl2N5O2/c22-13-7-5-12(6-8-13)16-11-17(14-3-1-2-4-15(14)23)28-20(24-16)25-21(26-28)27-18(29)9-10-19(27)30/h1-8,16-17H,9-11H2,(H,24,25,26)
InChIKey VSRDEJBRZDHAKU-UHFFFAOYSA-N
Mol Weight 442.31 g/mol
Molecular Formula C21H17Cl2N5O2
Exact Mass 441.07593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3zA5DbEsws9
Name 1-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-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/C21H17Cl2N5O2/c22-13-7-5-12(6-8-13)16-11-17(14-3-1-2-4-15(14)23)28-20(24-16)25-21(26-28)27-18(29)9-10-19(27)30/h1-8,16-17H,9-11H2,(H,24,25,26)
InChIKey VSRDEJBRZDHAKU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22439
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: D59543; Labnumber: RRVCHEx-0471; SBI_ID: SBI-022443
Temperature 318 °C