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[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-(2-chloro-6-fluorophenyl)-4,7-dihydro-5-methyl-, phenylmethyl ester

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[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-(2-chloro-6-fluorophenyl)-4,7-dihydro-5-methyl-, phenylmethyl ester
SpectraBase Compound ID 6o5iTszysiN
InChI InChI=1S/C20H16ClFN4O2/c1-12-16(19(27)28-10-13-6-3-2-4-7-13)18(26-20(25-12)23-11-24-26)17-14(21)8-5-9-15(17)22/h2-9,11,18H,10H2,1H3,(H,23,24,25)
InChIKey HKLPUEUOGXGRJK-UHFFFAOYSA-N
Mol Weight 398.83 g/mol
Molecular Formula C20H16ClFN4O2
Exact Mass 398.094582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GlX5gfbiK5R
Name [1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-(2-chloro-6-fluorophenyl)-4,7-dihydro-5-methyl-, phenylmethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.094581632 u
Formula C20H16ClFN4O2
InChI InChI=1S/C20H16ClFN4O2/c1-12-16(19(27)28-10-13-6-3-2-4-7-13)18(26-20(25-12)23-11-24-26)17-14(21)8-5-9-15(17)22/h2-9,11,18H,10H2,1H3,(H,23,24,25)
InChIKey HKLPUEUOGXGRJK-UHFFFAOYSA-N
Molecular Weight 398.825 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_846
Solvent DMSO-d6
Source Vendor ID: NMR/13239313