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3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SpectraBase Compound ID 1akFPtd0krf
InChI InChI=1S/C16H11ClF3N3O4/c1-26-9-4-3-7(5-10(9)27-2)8-6-11(16(18,19)20)23-14(21-8)12(17)13(22-23)15(24)25/h3-6H,1-2H3,(H,24,25)
InChIKey FMHAKAVUCNNDMV-UHFFFAOYSA-N
Mol Weight 401.73 g/mol
Molecular Formula C16H11ClF3N3O4
Exact Mass 401.039018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GrXToLM0LG
Name 3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
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/C16H11ClF3N3O4/c1-26-9-4-3-7(5-10(9)27-2)8-6-11(16(18,19)20)23-14(21-8)12(17)13(22-23)15(24)25/h3-6H,1-2H3,(H,24,25)
InChIKey FMHAKAVUCNNDMV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11758
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: UZI/9099661; UBI_ID: UBI-011761
Temperature 308 °C