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2-{[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]carbonyl}cyclohexanecarboxylic acid
SpectraBase Compound ID C9d9gRQZu4L
InChI InChI=1S/C16H17F3N2O6/c17-16(18,19)8-27-11-6-9(5-10(7-11)21(25)26)20-14(22)12-3-1-2-4-13(12)15(23)24/h5-7,12-13H,1-4,8H2,(H,20,22)(H,23,24)
InChIKey IHKSVVIOCCZBMR-UHFFFAOYSA-N
Mol Weight 390.32 g/mol
Molecular Formula C16H17F3N2O6
Exact Mass 390.103871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2srvlJxImL
Name 2-{[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]carbonyl}cyclohexanecarboxylic 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/C16H17F3N2O6/c17-16(18,19)8-27-11-6-9(5-10(7-11)21(25)26)20-14(22)12-3-1-2-4-13(12)15(23)24/h5-7,12-13H,1-4,8H2,(H,20,22)(H,23,24)
InChIKey IHKSVVIOCCZBMR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34701
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: 9157290; SBI_ID: SBI-034705
Temperature 315 °C