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1H-2-Benzothiopyran-4(3H)-one, 3-[bis(methylthio)methylene]-
SpectraBase Compound ID E7CaNNnUf7C
InChI InChI=1S/C12H12OS3/c1-14-12(15-2)11-10(13)9-6-4-3-5-8(9)7-16-11/h3-6H,7H2,1-2H3
InChIKey VVTRLYPWZVTDPE-UHFFFAOYSA-N
Mol Weight 268.41 g/mol
Molecular Formula C12H12OS3
Exact Mass 268.005029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1P1YPBBIefU
Name 1H-2-Benzothiopyran-4(3H)-one, 3-[bis(methylthio)methylene]-
CAS Registry Number 72554-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12OS3
InChI InChI=1S/C12H12OS3/c1-14-12(15-2)11-10(13)9-6-4-3-5-8(9)7-16-11/h3-6H,7H2,1-2H3
InChIKey VVTRLYPWZVTDPE-UHFFFAOYSA-N
Molecular Weight 268.407 g/mol
SMILES C1(C(c2ccccc2CS1)=O)=C(SC)SC
SPLASH splash10-0gb9-0690000000-00d123c4b83dec566a7b
Source of Spectrum SB-33-461-0
Synonyms 3-Dimethylthiomethylene-1H-2-benzothiopyran-4-one 3-[bis(methylsulfanyl)methylene]-1H-2-benzothiopyran-4(3H)-one
Wiley ID 1271700