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3-[(5-Phenyl-1H-1,2,3-triazol-1-yl)acetyl]-2H-chromen-2-one
SpectraBase Compound ID ER6mbB9eUpZ
InChI InChI=1S/C19H13N3O3/c23-17(15-10-14-8-4-5-9-18(14)25-19(15)24)12-22-16(11-20-21-22)13-6-2-1-3-7-13/h1-11H,12H2
InChIKey MMRCIQWTUKMZSX-UHFFFAOYSA-N
Mol Weight 331.33 g/mol
Molecular Formula C19H13N3O3
Exact Mass 331.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUZZyF43vRc
Name 3-[(5-Phenyl-1H-1,2,3-triazol-1-yl)acetyl]-2H-chromen-2-one
Alternate Name(s) 3-[1-oxo-2-(5-phenyl-1-triazolyl)ethyl]-1-benzopyran-2-one 3-[2-(5-phenyltriazol-1-yl)acetyl]chromen-2-one 3-[2-(5-phenyl-1,2,3-triazol-1-yl)ethanoyl]chromen-2-one
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Formula C19H13N3O3
InChI InChI=1S/C19H13N3O3/c23-17(15-10-14-8-4-5-9-18(14)25-19(15)24)12-22-16(11-20-21-22)13-6-2-1-3-7-13/h1-11H,12H2
InChIKey MMRCIQWTUKMZSX-UHFFFAOYSA-N
Molecular Weight 331.331 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(C[n]1c(cnn1)-c1ccccc1)=O
SPLASH splash10-000i-0598000000-ab2daced636e2fea8d2c
Source of Spectrum Y-48-1261-10b
Wiley ID 1704459