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3-[azido(4-methylphenyl)methyl]-4H-chromen-4-one
SpectraBase Compound ID EOhgcW87RrN
InChI InChI=1S/C17H13N3O2/c1-11-6-8-12(9-7-11)16(19-20-18)14-10-22-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3
InChIKey XLDXSPCSYUUOTP-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRmtYQ59bFt
Name 3-[azido(4-methylphenyl)methyl]-4H-chromen-4-one
Alternate Name(s) 3-[azido(p-tolyl)methyl]chromen-4-one 3-[azido(p-tolyl)methyl]chromone 3-[azido-(4-methylphenyl)methyl]-1-benzopyran-4-one 3-[azido-(4-methylphenyl)methyl]chromen-4-one
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Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c1-11-6-8-12(9-7-11)16(19-20-18)14-10-22-15-5-3-2-4-13(15)17(14)21/h2-10,16H,1H3
InChIKey XLDXSPCSYUUOTP-UHFFFAOYSA-N
Molecular Weight 291.310 g/mol
SMILES C=1(C(c2ccccc2OC1)=O)C(N=[N+]=[N-])c1ccc(cc1)C
SPLASH splash10-0005-2940000000-7920cb46c6c92dadc4e0
Source of Spectrum KC-57-2901-8
Wiley ID 1623715