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3-Isopropoxy-4-(trifluoromethyl)benzoic acid

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3-Isopropoxy-4-(trifluoromethyl)benzoic acid
SpectraBase Compound ID Gi6fxOwBpTf
InChI InChI=1S/C11H11F3O3/c1-6(2)17-9-5-7(10(15)16)3-4-8(9)11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKey QKIGCHHQKZJQHW-UHFFFAOYSA-N
Mol Weight 248.2 g/mol
Molecular Formula C11H11F3O3
Exact Mass 248.066029 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CmWhOMhE8Sd
Name benzoic acid, 3-(1-methylethoxy)-4-(trifluoromethyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C11H11F3O3/c1-6(2)17-9-5-7(10(15)16)3-4-8(9)11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKey QKIGCHHQKZJQHW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_7241
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/18301161; Labnumber: STRE-8105