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2-(4-bromobenzoyl)-3-(trifluoromethyl)-2,3,3a,4,5,6,7,8-octahydrocyclohepta[c]pyrazol-3-ol
SpectraBase Compound ID 1FyVnVIiKzA
InChI InChI=1S/C16H16BrF3N2O2/c17-11-8-6-10(7-9-11)14(23)22-15(24,16(18,19)20)12-4-2-1-3-5-13(12)21-22/h6-9,12,24H,1-5H2
InChIKey YCQQYSNWXPLUGA-UHFFFAOYSA-N
Mol Weight 405.22 g/mol
Molecular Formula C16H16BrF3N2O2
Exact Mass 404.034725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2wzMd2F2Jw
Name 2-(4-bromobenzoyl)-3-(trifluoromethyl)-2,3,3a,4,5,6,7,8-octahydrocyclohepta[c]pyrazol-3-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/C16H16BrF3N2O2/c17-11-8-6-10(7-9-11)14(23)22-15(24,16(18,19)20)12-4-2-1-3-5-13(12)21-22/h6-9,12,24H,1-5H2
InChIKey YCQQYSNWXPLUGA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3577
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: ZI/7067261; IOH_ID: IOH-003578
Temperature 303 °C