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10-[(per-Deuterio)benzylthio]-1,8-dihydroxy-9-anthrone
SpectraBase Compound ID 6K5tKJdoUe
InChI InChI=1S/C21H16O3S/c22-16-10-4-8-14-18(16)20(24)19-15(9-5-11-17(19)23)21(14)25-12-13-6-2-1-3-7-13/h1-11,21-23H,12H2/i1D,2D,3D,6D,7D,12D2
InChIKey SVCCMVDKTSCNNB-JGVLJANSSA-N
Mol Weight 355.46 g/mol
Molecular Formula C21H92D7O3S
Exact Mass 355.125953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25ulDTzUP8o
Name 10-[(per-Deuterio)benzylthio]-1,8-dihydroxy-9-anthrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H9D7O3S
InChI InChI=1S/C21H16O3S/c22-16-10-4-8-14-18(16)20(24)19-15(9-5-11-17(19)23)21(14)25-12-13-6-2-1-3-7-13/h1-11,21-23H,12H2/i1D,2D,3D,6D,7D,12D2
InChIKey SVCCMVDKTSCNNB-JGVLJANSSA-N
Molecular Weight 355.459 g/mol
SMILES Oc1cccc2c1C(c1c(cccc1C2SC(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])([2D])[2D])O)=O
SPLASH splash10-004i-1491000000-8c424bccec1320b939b9
Source of Spectrum D8-327-738-3
Wiley ID 1515411