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1,2,4-Triazolo[4,3-a]pyrimidin-7(8H)-one, 3-trifluoromethyl-5-methyl-6-phenoxy-
SpectraBase Compound ID 4xOPL85bItP
InChI InChI=1S/C13H9F3N4O2/c1-7-9(22-8-5-3-2-4-6-8)10(21)17-12-19-18-11(20(7)12)13(14,15)16/h2-6H,1H3,(H,17,19,21)
InChIKey JERDVNXVTNUFKW-UHFFFAOYSA-N
Mol Weight 310.24 g/mol
Molecular Formula C13H9F3N4O2
Exact Mass 310.06776 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 366F2ICWBSZ
Name [1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one, 5-methyl-6-phenoxy-3-(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.067760033 u
Formula C13H9F3N4O2
InChI InChI=1S/C13H9F3N4O2/c1-7-9(22-8-5-3-2-4-6-8)10(21)17-12-19-18-11(20(7)12)13(14,15)16/h2-6H,1H3,(H,17,19,21)
InChIKey JERDVNXVTNUFKW-UHFFFAOYSA-N
Molecular Weight 310.236 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11783
Solvent DMSO-d6
Source Vendor ID: ZI/10036640; Lab Info: GSB; Lab Number: GSB-0000005