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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
SpectraBase Compound ID Gtp0yzqj4I5
InChI InChI=1S/C16H10ClF3N2O4S/c17-12-6-5-9(7-11(12)16(18,19)20)21-14(23)8-22-15(24)10-3-1-2-4-13(10)27(22,25)26/h1-7H,8H2,(H,21,23)
InChIKey ZQEOBDYPWIQNRH-UHFFFAOYSA-N
Mol Weight 418.77 g/mol
Molecular Formula C16H10ClF3N2O4S
Exact Mass 418.00019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3nk3C3Qz5fp
Name N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
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/C16H10ClF3N2O4S/c17-12-6-5-9(7-11(12)16(18,19)20)21-14(23)8-22-15(24)10-3-1-2-4-13(10)27(22,25)26/h1-7H,8H2,(H,21,23)
InChIKey ZQEOBDYPWIQNRH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21342
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: D53243; Labnumber: SPDEM4-22545; SBI_ID: SBI-021346
Temperature 318 °C