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Bithiophthalide
SpectraBase Compound ID D3iRrP5XYrd
InChI InChI=1S/C16H8O2S2/c17-15-11-7-3-1-5-9(11)13(19-15)14-10-6-2-4-8-12(10)16(18)20-14/h1-8H/b14-13+
InChIKey LQARFQYQEKHFPO-BUHFOSPRSA-N
Mol Weight 296.36 g/mol
Molecular Formula C16H8O2S2
Exact Mass 295.996572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhcfLktOUyX
Name Bithiophthalide
CAS Registry Number 23667-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8O2S2
InChI InChI=1S/C16H8O2S2/c17-15-11-7-3-1-5-9(11)13(19-15)14-10-6-2-4-8-12(10)16(18)20-14/h1-8H/b14-13+
InChIKey LQARFQYQEKHFPO-BUHFOSPRSA-N
Molecular Weight 296.358 g/mol
SMILES C1(=O)S\C(=C/2SC(=O)c3ccccc23)c2ccccc12
SPLASH splash10-0002-1290000000-8ca9e460743b98868e2f
Source of Spectrum EP-2263-0-0
Synonyms Benzo[c]thiophen-1(3H)-one, 3-(3-oxobenzo[c]thien-1(3H)-ylidene)-, (E)- (3E)-3-(3-ketoisobenzothiophen-1-ylidene)isobenzothiophen-1-one (3E)-3-(3-oxidanylidene-2-benzothiophen-1-ylidene)-2-benzothiophen-1-one (3E)-3-(3-oxo-2-benzothiophen-1-ylidene)-2-benzothiophen-1-one
Wiley ID 1298932