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3-methyl-1-[(4-nitrophenyl)acetyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID 1qFqjY5Noi6
InChI InChI=1S/C13H12F3N3O4/c1-8-7-12(21,13(14,15)16)18(17-8)11(20)6-9-2-4-10(5-3-9)19(22)23/h2-5,21H,6-7H2,1H3
InChIKey RNFUYCGRUNGHDC-UHFFFAOYSA-N
Mol Weight 331.25 g/mol
Molecular Formula C13H12F3N3O4
Exact Mass 331.07799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4stz0JRqpAQ
Name 3-methyl-1-[(4-nitrophenyl)acetyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
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/C13H12F3N3O4/c1-8-7-12(21,13(14,15)16)18(17-8)11(20)6-9-2-4-10(5-3-9)19(22)23/h2-5,21H,6-7H2,1H3
InChIKey RNFUYCGRUNGHDC-UHFFFAOYSA-N
NMR Offset 14.5168
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_2219
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: ZI/7080955; Labnumber: LD-0200125; IOH_ID: IOH-002220
Temperature 297 °C