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11-Oxo-6,11-dihydrodibenzo[b,E]thiepine-2-carbonitrile
SpectraBase Compound ID 1YPxJGUvYQ1
InChI InChI=1S/C15H9NOS/c16-8-10-5-6-14-13(7-10)15(17)12-4-2-1-3-11(12)9-18-14/h1-7H,9H2
InChIKey KIHIUUYLZFWSGB-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C15H9NOS
Exact Mass 251.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dt8zIhh39Y4
Name 11-Oxo-6,11-dihydrodibenzo[b,E]thiepine-2-carbonitrile
CAS Registry Number 90667-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9NOS
InChI InChI=1S/C15H9NOS/c16-8-10-5-6-14-13(7-10)15(17)12-4-2-1-3-11(12)9-18-14/h1-7H,9H2
InChIKey KIHIUUYLZFWSGB-UHFFFAOYSA-N
Molecular Weight 251.303 g/mol
SMILES C1(c2c(SCc3c1cccc3)ccc(C#N)c2)=O
SPLASH splash10-0udi-7290000000-566652f00d1b1e902615
Source of Spectrum AD-0-2532-0
Synonyms 11-keto-6H-benzo[c][1]benzothiepin-2-carbonitrile 11-oxidanylidene-6H-benzo[c][1]benzothiepine-2-carbonitrile 11-oxo-6H-benzo[c][1]benzothiepin-2-carbonitrile 11-oxo-6H-benzo[c][1]benzothiepine-2-carbonitrile Dibenzo[b,E]thiepine-2-carbonitrile, 6,11-dihydro-11-oxo-
Wiley ID 1429490