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3-iodo-4-(N-phenylanilino)-1-benzopyran-2-one
SpectraBase Compound ID CbS84DSV41N
InChI InChI=1S/C21H14INO2/c22-19-20(17-13-7-8-14-18(17)25-21(19)24)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKey HKWZHOCMRRIWGP-UHFFFAOYSA-N
Mol Weight 439.25 g/mol
Molecular Formula C21H14INO2
Exact Mass 439.006924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ksf19ZTTZSx
Name 3-iodo-4-(N-phenylanilino)-1-benzopyran-2-one
Alternate Name(s) 3-iodo-4-(N-phenylanilino)chromen-2-one 3-iodo-4-(N-phenylanilino)coumarin 4-(diphenylamino)-3-iodanyl-chromen-2-one
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Formula C21H14INO2
InChI InChI=1S/C21H14INO2/c22-19-20(17-13-7-8-14-18(17)25-21(19)24)23(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKey HKWZHOCMRRIWGP-UHFFFAOYSA-N
Molecular Weight 439.252 g/mol
SMILES C1(=C(C(=O)Oc2c1cccc2)I)N(c1ccccc1)c1ccccc1
SPLASH splash10-01t9-9007300000-1fd60d793e4360f34957
Source of Spectrum Y-33-580-12
Wiley ID 1384385