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benzeneacetic acid, 4-[[(benzoylamino)carbonothioyl]amino]-alpha-hydroxy-alpha-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 5gbuOjqkF9d
InChI InChI=1S/C19H17F3N2O4S/c1-2-28-16(26)18(27,19(20,21)22)13-8-10-14(11-9-13)23-17(29)24-15(25)12-6-4-3-5-7-12/h3-11,27H,2H2,1H3,(H2,23,24,25,29)
InChIKey JCDANHQOSHMUFS-UHFFFAOYSA-N
Mol Weight 426.41 g/mol
Molecular Formula C19H17F3N2O4S
Exact Mass 426.086113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1M2bco4BPpf
Name benzeneacetic acid, 4-[[(benzoylamino)carbonothioyl]amino]-alpha-hydroxy-alpha-(trifluoromethyl)-, ethyl ester
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/C19H17F3N2O4S/c1-2-28-16(26)18(27,19(20,21)22)13-8-10-14(11-9-13)23-17(29)24-15(25)12-6-4-3-5-7-12/h3-11,27H,2H2,1H3,(H2,23,24,25,29)
InChIKey JCDANHQOSHMUFS-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1354
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/8325242; Labnumber: AU-EC00792
Temperature 297 °C