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{[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]sulfanyl}acetic acid
SpectraBase Compound ID 33fozZlXWpN
InChI InChI=1S/C12H9F6NO3S/c13-11(14,15)10(12(16,17)18,23-6-8(20)21)19-9(22)7-4-2-1-3-5-7/h1-5H,6H2,(H,19,22)(H,20,21)
InChIKey RWBKTPPPRURFNG-UHFFFAOYSA-N
Mol Weight 361.26 g/mol
Molecular Formula C12H9F6NO3S
Exact Mass 361.020733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CEAACDSQewy
Name {[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]sulfanyl}acetic 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/C12H9F6NO3S/c13-11(14,15)10(12(16,17)18,23-6-8(20)21)19-9(22)7-4-2-1-3-5-7/h1-5H,6H2,(H,19,22)(H,20,21)
InChIKey RWBKTPPPRURFNG-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_800
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/8305578; Labnumber: AU-ca1099f; IOH_ID: IOH-000801
Temperature 297 °C