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3-Iodo-2-(4'-methylphenyl)-4H-[1]benzopyran-4-one
SpectraBase Compound ID FwapcxydpIh
InChI InChI=1S/C16H11IO2/c1-10-6-8-11(9-7-10)16-14(17)15(18)12-4-2-3-5-13(12)19-16/h2-9H,1H3
InChIKey STUGIDBUPQTKLP-UHFFFAOYSA-N
Mol Weight 362.17 g/mol
Molecular Formula C16H11IO2
Exact Mass 361.980375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIWyd0gCRs9
Name 3-Iodo-2-(4'-methylphenyl)-4H-[1]benzopyran-4-one
Alternate Name(s) 3-iodo-2-(4-methylphenyl)-1-benzopyran-4-one 3-iodo-2-(4-methylphenyl)chromen-4-one 3-iodo-2-(p-tolyl)chromen-4-one 3-iodanyl-2-(4-methylphenyl)chromen-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H11IO2
InChI InChI=1S/C16H11IO2/c1-10-6-8-11(9-7-10)16-14(17)15(18)12-4-2-3-5-13(12)19-16/h2-9H,1H3
InChIKey STUGIDBUPQTKLP-UHFFFAOYSA-N
Molecular Weight 362.166 g/mol
SMILES C1(=C(Oc2c(C1=O)cccc2)c1ccc(cc1)C)I
SPLASH splash10-03di-0029000000-9ff1d05c231f1a9abf24
Source of Spectrum H-91-263-4b
Wiley ID 1693512