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4-[(E)-(3-Oxo-1-benzothien-2(3H)-ylidene)methyl]benzonitrile
SpectraBase Compound ID DqkXWgJjYSs
InChI InChI=1S/C16H9NOS/c17-10-12-7-5-11(6-8-12)9-15-16(18)13-3-1-2-4-14(13)19-15/h1-9H/b15-9+
InChIKey ORQXYWNHSALYQM-OQLLNIDSSA-N
Mol Weight 263.31 g/mol
Molecular Formula C16H9NOS
Exact Mass 263.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2bLR3ySFCS
Name 4-[(E)-(3-Oxo-1-benzothien-2(3H)-ylidene)methyl]benzonitrile
Alternate Name(s) 4-[(E)-(3-ketobenzothiophen-2-ylidene)methyl]benzonitrile 4-[(E)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]benzenecarbonitrile 4-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]benzonitrile 4-[(E)-(3-oxobenzothiophen-2-ylidene)methyl]benzonitrile Benzonitrile, 4-(2,3-dihydro-3-oxobenzo[b]thiophen-2-ylidenemethyl)-
CAS Registry Number 73139-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9NOS
InChI InChI=1S/C16H9NOS/c17-10-12-7-5-11(6-8-12)9-15-16(18)13-3-1-2-4-14(13)19-15/h1-9H/b15-9+
InChIKey ORQXYWNHSALYQM-OQLLNIDSSA-N
Molecular Weight 263.314 g/mol
SMILES c12S\C(C(c1cccc2)=O)=C/c1ccc(C#N)cc1
SPLASH splash10-03di-6490000000-d431d3cd31d64c89504b
Source of Spectrum AD-0-2532-0
Wiley ID 1428995