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N-(4-Acetamidophenyl)-6,8-diiodocoumarin-3-carboxamide
SpectraBase Compound ID a4YGwZqROV
InChI InChI=1S/C18H12I2N2O4/c1-9(23)21-12-2-4-13(5-3-12)22-17(24)14-7-10-6-11(19)8-15(20)16(10)26-18(14)25/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKey CZLCDNJVALOQIK-UHFFFAOYSA-N
Mol Weight 574.11 g/mol
Molecular Formula C18H12I2N2O4
Exact Mass 573.888647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMRfmduEXNG
Name N-(4-Acetamidophenyl)-6,8-diiodocoumarin-3-carboxamide
Appearance Colorless crystals
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Formula C18H12I2N2O4
InChI InChI=1S/C18H12I2N2O4/c1-9(23)21-12-2-4-13(5-3-12)22-17(24)14-7-10-6-11(19)8-15(20)16(10)26-18(14)25/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKey CZLCDNJVALOQIK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.199
Molecular Weight 574.113 g/mol
SMILES N(C(C1=Cc2cc(cc(c2OC1=O)I)I)=O)c1ccc(cc1)NC(C)=O
SPLASH splash10-0a4i-0902130000-cc1a542a5c66f8db56cc
Source of Spectrum BJO-7-1694-5
Wiley ID 1870022