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2-Amino-4-(4-bromophenyl)-(5H)-[1]benzothiopyrano[4,3-b]pyrane-3-carbonitrile
SpectraBase Compound ID JCgm72BiWcz
InChI InChI=1S/C19H13BrN2OS/c20-12-7-5-11(6-8-12)17-14(9-21)19(22)23-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8,18H,10,22H2
InChIKey SAUOXKDSIWEFKF-UHFFFAOYSA-N
Mol Weight 397.29 g/mol
Molecular Formula C19H13BrN2OS
Exact Mass 395.993197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIgC837mMAf
Name 2-Amino-4-(4-bromophenyl)-(5H)-[1]benzothiopyrano[4,3-b]pyrane-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C19H13BrN2OS
InChI InChI=1S/C19H13BrN2OS/c20-12-7-5-11(6-8-12)17-14(9-21)19(22)23-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8,18H,10,22H2
InChIKey SAUOXKDSIWEFKF-UHFFFAOYSA-N
Molecular Weight 397.290 g/mol
SMILES NC=1OC2C(=C(C1C#N)c1ccc(cc1)Br)CSc1ccccc21
SPLASH splash10-0002-0049000000-8b15dbff68cc9acbd468
Source of Spectrum Y1-42-1987-16
Synonyms 2-amino-4-(4-bromophenyl)-5H,10bH-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Wiley ID 1565278