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2-ketothiochromene-4-carbonitrile
SpectraBase Compound ID EHJ0KplYjc5
InChI InChI=1S/C10H5NOS/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H
InChIKey CXHRHZZXBFPAEH-UHFFFAOYSA-N
Mol Weight 187.22 g/mol
Molecular Formula C10H5NOS
Exact Mass 187.009185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDhc0p9vDqD
Name 2-ketothiochromene-4-carbonitrile
Alternate Name(s) 2-oxidanylidenethiochromene-4-carbonitrile 2-oxo-1-benzothiopyran-4-carbonitrile 2-oxothiochromene-4-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C10H5NOS
InChI InChI=1S/C10H5NOS/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-5H
InChIKey CXHRHZZXBFPAEH-UHFFFAOYSA-N
Molecular Weight 187.216 g/mol
SMILES C1(=CC(=O)Sc2c1cccc2)C#N
SPLASH splash10-0a4i-0900000000-7a0a94144f3baf4f4fc2
Source of Spectrum SO-0-1112-1
Wiley ID 864387