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2-(4-nitrobenzoyl)-3-(trifluoromethyl)-2,3,3a,4,5,6,7,8-octahydrocyclohepta[c]pyrazol-3-ol
SpectraBase Compound ID EsInK2NE0oG
InChI InChI=1S/C16H16F3N3O4/c17-16(18,19)15(24)12-4-2-1-3-5-13(12)20-21(15)14(23)10-6-8-11(9-7-10)22(25)26/h6-9,12,24H,1-5H2
InChIKey GWDSQZGEBXJMAL-UHFFFAOYSA-N
Mol Weight 371.32 g/mol
Molecular Formula C16H16F3N3O4
Exact Mass 371.10929 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4trgpaCMQK
Name 2-(4-nitrobenzoyl)-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/C16H16F3N3O4/c17-16(18,19)15(24)12-4-2-1-3-5-13(12)20-21(15)14(23)10-6-8-11(9-7-10)22(25)26/h6-9,12,24H,1-5H2
InChIKey GWDSQZGEBXJMAL-UHFFFAOYSA-N
NMR Offset 16.576
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14146
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: 200967; Labnumber: SPY5-179; VK_ID: VK-014151
Temperature 315 °C