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pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(3-acetylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-
SpectraBase Compound ID 414f7lmQdbW
InChI InChI=1S/C22H14ClF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-11H,1H3,(H,27,32)
InChIKey XLUILNAFGDBIBY-UHFFFAOYSA-N
Mol Weight 458.83 g/mol
Molecular Formula C22H14ClF3N4O2
Exact Mass 458.075738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2AuN4yqZ8G
Name pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(3-acetylphenyl)-5-(4-chlorophenyl)-7-(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 458.075737894 u
Formula C22H14ClF3N4O2
InChI InChI=1S/C22H14ClF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-11H,1H3,(H,27,32)
InChIKey XLUILNAFGDBIBY-UHFFFAOYSA-N
Molecular Weight 458.828 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3465
Solvent DMSO-d6
Source Vendor ID: NMR/9278694; Lab Number: BAS 1059317
Temperature 23.85 °C