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1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID KaQXmeN7IpG
InChI InChI=1S/C22H21F3N2O3/c1-14-12-21(29,22(23,24)25)27(26-14)20(28)17-7-5-15(6-8-17)13-30-19-10-9-16-3-2-4-18(16)11-19/h5-11,29H,2-4,12-13H2,1H3
InChIKey VGJINBHGNNKREB-UHFFFAOYSA-N
Mol Weight 418.42 g/mol
Molecular Formula C22H21F3N2O3
Exact Mass 418.150427 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YrlXEjjODV
Name 1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-3-methyl-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/C22H21F3N2O3/c1-14-12-21(29,22(23,24)25)27(26-14)20(28)17-7-5-15(6-8-17)13-30-19-10-9-16-3-2-4-18(16)11-19/h5-11,29H,2-4,12-13H2,1H3
InChIKey VGJINBHGNNKREB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18467
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/1026153; Labnumber: TYD0339; UZI_ID: UZI-018474
Temperature 308 °C