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N-(4-Hydroxyphenyl)-6,8-diiodocoumarin-3-carboxamide
SpectraBase Compound ID 90G7g4rrS3P
InChI InChI=1S/C16H9I2NO4/c17-9-5-8-6-12(16(22)23-14(8)13(18)7-9)15(21)19-10-1-3-11(20)4-2-10/h1-7,20H,(H,19,21)
InChIKey KDICBRIDYGWNOT-UHFFFAOYSA-N
Mol Weight 533.06 g/mol
Molecular Formula C16H9I2NO4
Exact Mass 532.862098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ET5YiYqh8f
Name N-(4-Hydroxyphenyl)-6,8-diiodocoumarin-3-carboxamide
Appearance Yellow crystals
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Formula C16H9I2NO4
InChI InChI=1S/C16H9I2NO4/c17-9-5-8-6-12(16(22)23-14(8)13(18)7-9)15(21)19-10-1-3-11(20)4-2-10/h1-7,20H,(H,19,21)
InChIKey KDICBRIDYGWNOT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.199
Molecular Weight 533.060 g/mol
SMILES N(C(C1=Cc2cc(cc(c2OC1=O)I)I)=O)c1ccc(cc1)O
SPLASH splash10-004r-5101940000-91ae44439c1877e9d2e6
Source of Spectrum BJO-7-1694-9
Wiley ID 1870024