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4,5-Diazaspiro[2,4]hept-5-ene-6-carbonitrile, 4-(4-bromobenzoyl)-
SpectraBase Compound ID 1yN02Bjntl6
InChI InChI=1S/C13H10BrN3O/c14-10-3-1-9(2-4-10)12(18)17-13(5-6-13)7-11(8-15)16-17/h1-4H,5-7H2
InChIKey KQQNGHOKAYQCBG-UHFFFAOYSA-N
Mol Weight 304.15 g/mol
Molecular Formula C13H10BrN3O
Exact Mass 303.000725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VI75fN5FJi
Name 4,5-Diazaspiro[2,4]hept-5-ene-6-carbonitrile, 4-(4-bromobenzoyl)-
Alternate Name(s) 4-(4-Bromobenzoyl)-4,5-diazaspiro[2.4]hept-5-ene-6-carbonitrile 7-(4-bromobenzoyl)-6,7-diazaspiro[2.4]hept-5-ene-5-carbonitrile 4-[(4-bromophenyl)-oxomethyl]-4,5-diazaspiro[2.4]hept-5-ene-6-carbonitrile
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Formula C13H10BrN3O
InChI InChI=1S/C13H10BrN3O/c14-10-3-1-9(2-4-10)12(18)17-13(5-6-13)7-11(8-15)16-17/h1-4H,5-7H2
InChIKey KQQNGHOKAYQCBG-UHFFFAOYSA-N
Molecular Weight 304.147 g/mol
SMILES C1C2(N(N=C1C#N)C(c1ccc(cc1)Br)=O)CC2
SPLASH splash10-001r-1910000000-3e851cf2f08529ea3fae
Wiley ID 1455700