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4-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-iodobenzoic acid Methyl Ester
SpectraBase Compound ID 80UR8M316Y7
InChI InChI=1S/C23H18INO4/c1-28-22(26)14-10-11-21(20(24)12-14)25-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19H,13H2,1H3,(H,25,27)
InChIKey MBYODRUGMIUHLD-UHFFFAOYSA-N
Mol Weight 499.3 g/mol
Molecular Formula C23H18INO4
Exact Mass 499.028053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4N6eYX95xs1
Name 4-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-iodobenzoic acid Methyl Ester
Alternate Name(s) methyl 4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-iodobenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H18INO4
InChI InChI=1S/C23H18INO4/c1-28-22(26)14-10-11-21(20(24)12-14)25-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19H,13H2,1H3,(H,25,27)
InChIKey MBYODRUGMIUHLD-UHFFFAOYSA-N
Molecular Weight 499.304 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)c1c(cc(C(=O)OC)cc1)I
SPLASH splash10-004i-0900000000-b2fc25f7533f225e2dfa
Source of Spectrum F-68-1849-3
Wiley ID 1571970