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1-hydroxysulfanylanthracene-9,10-dione
SpectraBase Compound ID 5XBC1YubiZF
InChI InChI=1S/C14H8O3S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)18-17/h1-7,17H
InChIKey QFMLJHOMYRVHEJ-UHFFFAOYSA-N
Mol Weight 256.27 g/mol
Molecular Formula C14H8O3S
Exact Mass 256.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYK5yOSorfK
Name 1-hydroxysulfanylanthracene-9,10-dione
Alternate Name(s) 1-oxidanylsulfanylanthracene-9,10-dione 1-sulfeno-9,10-anthraquinone 9,10-dioxo-1-anthracenesulfenic acid
CAS Registry Number 75507-58-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8O3S
InChI InChI=1S/C14H8O3S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)18-17/h1-7,17H
InChIKey QFMLJHOMYRVHEJ-UHFFFAOYSA-N
Molecular Weight 256.275 g/mol
SMILES OSc1c2C(c3c(C(=O)c2ccc1)cccc3)=O
SPLASH splash10-000i-0090000000-5dc908f6938373069151
Source of Spectrum J-54-4202-2
Wiley ID 1259623