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3-hydroxy-5,5-dimethyl-2-(5-oxido-10H-dibenzo[b,e]thiopyran-10-yl)-2-cyclohexen-1-one
SpectraBase Compound ID 8DYAh2GQM5t
InChI InChI=1S/C21H20O3S/c1-21(2)11-15(22)20(16(23)12-21)19-13-7-3-5-9-17(13)25(24)18-10-6-4-8-14(18)19/h3-10,19,22H,11-12H2,1-2H3
InChIKey MTWICVFHFORWKF-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C21H20O3S
Exact Mass 352.113316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jv3sKqrHriL
Name 3-hydroxy-5,5-dimethyl-2-(5-oxido-10H-dibenzo[b,e]thiopyran-10-yl)-2-cyclohexen-1-one
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/C21H20O3S/c1-21(2)11-15(22)20(16(23)12-21)19-13-7-3-5-9-17(13)25(24)18-10-6-4-8-14(18)19/h3-10,19,22H,11-12H2,1-2H3
InChIKey MTWICVFHFORWKF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16777
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: 987/00004370; Labnumber: 987/00004370218853; VK_ID: VK-016782
Temperature 308 °C