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(9-bromo-3-cyano-5-oxo-1,5-dihydro-2Hchromeno[4,3-b]pyridin-2-ylidene)propanedinitrile
SpectraBase Compound ID 9f2wq70trtC
InChI InChI=1S/C16H5BrN4O2/c17-10-1-2-13-11(4-10)15-12(16(22)23-13)3-8(5-18)14(21-15)9(6-19)7-20/h1-4,21H
InChIKey POPKODBMPLMBFG-UHFFFAOYSA-N
Mol Weight 365.15 g/mol
Molecular Formula C16H5BrN4O2
Exact Mass 363.959588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVhtsPoZQMq
Name (9-bromo-3-cyano-5-oxo-1,5-dihydro-2Hchromeno[4,3-b]pyridin-2-ylidene)propanedinitrile
Appearance Yellow crystals
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Formula C16H5BrN4O2
InChI InChI=1S/C16H5BrN4O2/c17-10-1-2-13-11(4-10)15-12(16(22)23-13)3-8(5-18)14(21-15)9(6-19)7-20/h1-4,21H
InChIKey POPKODBMPLMBFG-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3650
Molecular Weight 365.146 g/mol
SMILES N1C(C(=CC2=C1c1c(OC2=O)ccc(c1)Br)C#N)=C(C#N)C#N
SPLASH splash10-08fr-9527000000-c0503f9f32605f04b45e
Source of Spectrum Y-56-SM2-2, BCOCPP
Wiley ID 1861243