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7-isopropyl-4-methyl-2-oxo-1,3-benzoxathiol-5-yl benzenesulfonate
SpectraBase Compound ID J3vkfSe2eZb
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey CKZMPAGEHWJTBY-UHFFFAOYSA-N
Mol Weight 364.43 g/mol
Molecular Formula C17H16O5S2
Exact Mass 364.043916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BSSswxEgj2r
Name 7-isopropyl-4-methyl-2-oxo-1,3-benzoxathiol-5-yl benzenesulfonate
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/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey CKZMPAGEHWJTBY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6950
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: ZI/5124731; Labnumber: NKP-175; IOH_ID: IOH-006951