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3-Nitro-4-(2,2,3,3,4,4,5,5-octafluoro-pentyloxy)-benzoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Nitro-4-(2,2,3,3,4,4,5,5-octafluoro-pentyloxy)-benzoic acid
SpectraBase Compound ID EUefzp3ckpB
InChI InChI=1S/C12H7F8NO5/c13-9(14)11(17,18)12(19,20)10(15,16)4-26-7-2-1-5(8(22)23)3-6(7)21(24)25/h1-3,9H,4H2,(H,22,23)
InChIKey PCASNCRGMKWQDA-UHFFFAOYSA-N
Mol Weight 397.18 g/mol
Molecular Formula C12H7F8NO5
Exact Mass 397.019648 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hu3QFYJbiNY
Name 3-nitro-4-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]benzoic 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/C12H7F8NO5/c13-9(14)11(17,18)12(19,20)10(15,16)4-26-7-2-1-5(8(22)23)3-6(7)21(24)25/h1-3,9H,4H2,(H,22,23)
InChIKey PCASNCRGMKWQDA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5136
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: NMR/11211532; Labnumber: LP-1401951; IOH_ID: IOH-005137