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N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide
SpectraBase Compound ID H01xAObjP14
InChI InChI=1S/C18H16ClFN2O4S2/c19-14-5-3-6-15(20)13(14)11-27-9-8-21-17(23)10-22-18(24)12-4-1-2-7-16(12)28(22,25)26/h1-7H,8-11H2,(H,21,23)
InChIKey JKQSAVDNEINSSR-UHFFFAOYSA-N
Mol Weight 442.91 g/mol
Molecular Formula C18H16ClFN2O4S2
Exact Mass 442.022405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JEksusOA5P0
Name N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-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/C18H16ClFN2O4S2/c19-14-5-3-6-15(20)13(14)11-27-9-8-21-17(23)10-22-18(24)12-4-1-2-7-16(12)28(22,25)26/h1-7H,8-11H2,(H,21,23)
InChIKey JKQSAVDNEINSSR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21331
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: D53272; Labnumber: SPDEM4-7252; SBI_ID: SBI-021335
Temperature 306 °C