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9-(4-Methylsulfanyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SpectraBase Compound ID DcHBDHp55af
InChI InChI=1S/C20H20O3S/c1-24-13-10-8-12(9-11-13)18-19-14(21)4-2-6-16(19)23-17-7-3-5-15(22)20(17)18/h8-11,18H,2-7H2,1H3
InChIKey RQCBDWAZYPALQW-UHFFFAOYSA-N
Mol Weight 340.44 g/mol
Molecular Formula C20H20O3S
Exact Mass 340.113316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ejvow7yEnf
Name 1H-xanthene-1,8(2H)-dione, 3,4,5,6,7,9-hexahydro-9-[4-(methylthio)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.113315675 u
Formula C20H20O3S
InChI InChI=1S/C20H20O3S/c1-24-13-10-8-12(9-11-13)18-19-14(21)4-2-6-16(19)23-17-7-3-5-15(22)20(17)18/h8-11,18H,2-7H2,1H3
InChIKey RQCBDWAZYPALQW-UHFFFAOYSA-N
Molecular Weight 340.437 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11118
Solvent DMSO-d6
Source Vendor ID: NMR/10251441; Lab Info: KOZ; Lab Number: KOZ-0001715