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2-Iodo-benzoic acid biphenyl-4-yl ester
SpectraBase Compound ID 4bHASh4Vpo1
InChI InChI=1S/C19H13IO2/c20-18-9-5-4-8-17(18)19(21)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey TWRBDRYWJBHASP-UHFFFAOYSA-N
Mol Weight 400.22 g/mol
Molecular Formula C19H13IO2
Exact Mass 399.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVgxnjV6VJc
Name 2-Iodo-benzoic acid biphenyl-4-yl ester
Alternate Name(s) (4-phenylphenyl) 2-iodanylbenzoate (4-phenylphenyl) 2-iodobenzoate 2-iodobenzoic acid (4-phenylphenyl) ester [1,1'-Biphenyl]-4-yl 2-iodobenzoate
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Formula C19H13IO2
InChI InChI=1S/C19H13IO2/c20-18-9-5-4-8-17(18)19(21)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey TWRBDRYWJBHASP-UHFFFAOYSA-N
Molecular Weight 400.215 g/mol
SMILES c1(-c2ccccc2)ccc(OC(c2c(cccc2)I)=O)cc1
SPLASH splash10-0f89-1390300000-8e4259ccd6b529abe578
Wiley ID 1459044