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N-[4-({[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}sulfonyl)phenyl]acetamide

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N-[4-({[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}sulfonyl)phenyl]acetamide
SpectraBase Compound ID AwTTndG0eaf
InChI InChI=1S/C25H20ClFN6O3S/c1-15(34)28-20-10-12-21(13-11-20)37(35,36)32-24-30-25-29-22(16-2-6-18(26)7-3-16)14-23(33(25)31-24)17-4-8-19(27)9-5-17/h2-14,23H,1H3,(H,28,34)(H2,29,30,31,32)
InChIKey GDGXUYNVJVALNI-UHFFFAOYSA-N
Mol Weight 538.99 g/mol
Molecular Formula C25H20ClFN6O3S
Exact Mass 538.099016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6bmitSIVBEN
Name N-[4-({[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}sulfonyl)phenyl]acetamide
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/C25H20ClFN6O3S/c1-15(34)28-20-10-12-21(13-11-20)37(35,36)32-24-30-25-29-22(16-2-6-18(26)7-3-16)14-23(33(25)31-24)17-4-8-19(27)9-5-17/h2-14,23H,1H3,(H,28,34)(H2,29,30,31,32)
InChIKey GDGXUYNVJVALNI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1820
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: C99973; Labnumber: RRVCH-1075; SBI_ID: SBI-001822
Temperature 318 °C