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4-(5-iodopentoxy)-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester
SpectraBase Compound ID F49JgRJH9oA
InChI InChI=1S/C21H21IN2O5/c1-27-20(25)15-9-7-13-6-8-14-17(29-11-5-3-4-10-22)12-16(21(26)28-2)24-19(14)18(13)23-15/h6-9,12H,3-5,10-11H2,1-2H3
InChIKey VLLDOQKXLRHUTP-UHFFFAOYSA-N
Mol Weight 508.31 g/mol
Molecular Formula C21H21IN2O5
Exact Mass 508.049517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VoZF1ra0SM
Name 4-(5-iodopentoxy)-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester
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Formula C21H21IN2O5
InChI InChI=1S/C21H21IN2O5/c1-27-20(25)15-9-7-13-6-8-14-17(29-11-5-3-4-10-22)12-16(21(26)28-2)24-19(14)18(13)23-15/h6-9,12H,3-5,10-11H2,1-2H3
InChIKey VLLDOQKXLRHUTP-UHFFFAOYSA-N
Molecular Weight 508.312 g/mol
SMILES c12nc(C(=O)OC)cc(c2ccc2c1nc(C(=O)OC)cc2)OCCCCCI
SPLASH splash10-006x-9060000000-4594aa7151a999f5c26c
Source of Spectrum KC-0-79-15
Synonyms Dimethyl 4-(5-iodanylpentoxy)-1,10-phenanthroline-2,9-dicarboxylate Dimethyl 4-(5-iodopentoxy)-1,10-phenanthroline-2,9-dicarboxylate
Wiley ID 784808