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3-iodo-4-(phenylmethoxycarbonylamino)benzoic acid methyl ester
SpectraBase Compound ID 6O9MvXVX6RZ
InChI InChI=1S/C16H14INO4/c1-21-15(19)12-7-8-14(13(17)9-12)18-16(20)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKey VCOJPTJUEJOYFY-UHFFFAOYSA-N
Mol Weight 411.2 g/mol
Molecular Formula C16H14INO4
Exact Mass 410.996753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlS8elQhEBI
Name 3-iodo-4-(phenylmethoxycarbonylamino)benzoic acid methyl ester
Alternate Name(s) 4-(benzyloxycarbonylamino)-3-iodo-benzoic acid methyl ester Methyl 3-iodanyl-4-(phenylmethoxycarbonylamino)benzoate Methyl 3-iodo-4-(phenylmethoxycarbonylamino)benzoate
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Formula C16H14INO4
InChI InChI=1S/C16H14INO4/c1-21-15(19)12-7-8-14(13(17)9-12)18-16(20)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKey VCOJPTJUEJOYFY-UHFFFAOYSA-N
Molecular Weight 411.195 g/mol
SMILES N(c1c(cc(C(=O)OC)cc1)I)C(=O)OCc1ccccc1
SPLASH splash10-0ukc-8089100000-81e568cf12a6c953d51c
Source of Spectrum J-66-8603-0
Wiley ID 1568650