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Thioxanthen-9-one 10,10-dioxide
SpectraBase Compound ID F2etXikOJ4J
InChI InChI=1S/C13H8O3S/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13/h1-8H
InChIKey DRIRMYPZOAOUPR-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C13H8O3S
Exact Mass 244.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wZ27fMjVZ3
Name 9H-thioxanthen-9-one 10,10-dioxide
CAS Registry Number 3166-15-2
Comments Less than 3 mono-isotopic peaks
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Formula C13H8O3S
InChI InChI=1S/C13H8O3S/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13/h1-8H
InChIKey DRIRMYPZOAOUPR-UHFFFAOYSA-N
Molecular Weight 244.264 g/mol
SMILES c12S(c3c(C(c2cccc1)=O)cccc3)(=O)=O
SPLASH splash10-0002-0900000000-7a26495ab31e583689a8
Source of Spectrum QE-12-3399-26
Synonyms 10,10-bis(oxidanylidene)thioxanthen-9-one 9H-Thioxanthen-9-one, 10,10-dioxide 10,10-diketothioxanthen-9-one 10,10-dioxo-9-thioxanthenone 10,10-dioxothioxanthen-9-one Thioxanthen-9-one, 10,10-dioxide Thioxanthene 10,10-dioxide Thioxanthone S,S-dioxide
Wiley ID 1586862