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3H-Thiopyrano[3,4-b][1]benzothiophen-3-one, 1-phenyl-, 9,9-dioxide
SpectraBase Compound ID 3qNMxw3dwPO
InChI InChI=1S/C17H10O3S2/c18-15-10-13-12-8-4-5-9-14(12)22(19,20)17(13)16(21-15)11-6-2-1-3-7-11/h1-10H
InChIKey YPDWESJUYATXIS-UHFFFAOYSA-N
Mol Weight 326.38 g/mol
Molecular Formula C17H10O3S2
Exact Mass 326.007137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CA25BHAnuG
Name 3H-Thiopyrano[3,4-b][1]benzothiophen-3-one, 1-phenyl-, 9,9-dioxide
CAS Registry Number 87894-67-5
Comments Less than 3 mono-isotopic peaks
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Formula C17H10O3S2
InChI InChI=1S/C17H10O3S2/c18-15-10-13-12-8-4-5-9-14(12)22(19,20)17(13)16(21-15)11-6-2-1-3-7-11/h1-10H
InChIKey YPDWESJUYATXIS-UHFFFAOYSA-N
Molecular Weight 326.384 g/mol
SMILES C=12S(c3c(C2=CC(SC1c1ccccc1)=O)cccc3)(=O)=O
SPLASH splash10-0002-0093000000-799d00964170d1cb0e3f
Source of Spectrum KC-1983-1429-1
Synonyms 1-phenyl-3H-thiino[3,4-b][1]benzothiophen-3-one 9,9-dioxide 1-Phenyl-3H-thiopyrano[3,4-b][1]benzothiophen-3-one 9,9-dioxide
Wiley ID 1324618