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4-isothiazolecarboxylic acid, 3,5-bis(methylthio)-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID HwzPW3hmb6m
InChI InChI=1S/C8H8F3NO2S3/c1-15-5-4(7(16-2)17-12-5)6(13)14-3-8(9,10)11/h3H2,1-2H3
InChIKey ZZPYXHXXYFHVSC-UHFFFAOYSA-N
Mol Weight 303.33 g/mol
Molecular Formula C8H8F3NO2S3
Exact Mass 302.966927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Cqrdu5SvRt
Name 4-isothiazolecarboxylic acid, 3,5-bis(methylthio)-, 2,2,2-trifluoroethyl 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/C8H8F3NO2S3/c1-15-5-4(7(16-2)17-12-5)6(13)14-3-8(9,10)11/h3H2,1-2H3
InChIKey ZZPYXHXXYFHVSC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_115
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: L-12/0001408; IOH_ID: IOH-007116