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cis-3-Oxo-8-bromo-9b-cyano-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan
SpectraBase Compound ID IRVA8xeSKs5
InChI InChI=1S/C13H10BrNO2/c14-8-1-2-11-10(5-8)13(7-15)4-3-9(16)6-12(13)17-11/h1-2,5,12H,3-4,6H2/t12-,13+/m1/s1
InChIKey PNTYYIFYTJUMCW-OLZOCXBDSA-N
Mol Weight 292.13 g/mol
Molecular Formula C13H10BrNO2
Exact Mass 290.989492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qPg78gdvVl
Name cis-3-Oxo-8-bromo-9b-cyano-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan
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Formula C13H10BrNO2
InChI InChI=1S/C13H10BrNO2/c14-8-1-2-11-10(5-8)13(7-15)4-3-9(16)6-12(13)17-11/h1-2,5,12H,3-4,6H2/t12-,13+/m1/s1
InChIKey PNTYYIFYTJUMCW-OLZOCXBDSA-N
Molecular Weight 292.132 g/mol
SMILES [C@]12(Oc3c([C@]2(CCC(C1)=O)C#N)cc(cc3)Br)[H]
SPLASH splash10-0006-0090000000-4c097cbf4b1a819a20f9
Source of Spectrum K-2002-1119-14
Synonyms (5aR,9aR)-2-bromo-7-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-9a(5aH)-carbonitrile (5aR,9aR)-2-bromo-7-oxo-5a,6,8,9-tetrahydrodibenzofuran-9a-carbonitrile (5aR,9aR)-2-bromanyl-7-oxidanylidene-5a,6,8,9-tetrahydrodibenzofuran-9a-carbonitrile
Wiley ID 1581187