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N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
SpectraBase Compound ID 2mozDHttsdn
InChI InChI=1S/C21H21ClFN5O/c1-12(2)19(29)25-20-26-21-24-17(13-3-7-15(22)8-4-13)11-18(28(21)27-20)14-5-9-16(23)10-6-14/h3-10,12,17-18H,11H2,1-2H3,(H2,24,25,26,27,29)
InChIKey UGTOXIVUUDKUPL-UHFFFAOYSA-N
Mol Weight 413.88 g/mol
Molecular Formula C21H21ClFN5O
Exact Mass 413.141866 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTBejzXijvs
Name N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
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/C21H21ClFN5O/c1-12(2)19(29)25-20-26-21-24-17(13-3-7-15(22)8-4-13)11-18(28(21)27-20)14-5-9-16(23)10-6-14/h3-10,12,17-18H,11H2,1-2H3,(H2,24,25,26,27,29)
InChIKey UGTOXIVUUDKUPL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12993
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: D79296; Labnumber: RRVCHEx-0353; SBI_ID: SBI-012996
Temperature 306 °C