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3-(1H-Imidazol-4-yl)propyl N-(4-iodophenyl)methanoate
SpectraBase Compound ID 7T5B4Q6RHYJ
InChI InChI=1S/C13H13IN2O2/c14-11-5-3-10(4-6-11)13(17)18-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)
InChIKey QFNFPJBLDYXDDK-UHFFFAOYSA-N
Mol Weight 356.16 g/mol
Molecular Formula C13H13IN2O2
Exact Mass 356.002173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6K1WqEn3nY
Name 3-(1H-Imidazol-4-yl)propyl N-(4-iodophenyl)methanoate
Alternate Name(s) 3-(1H-imidazol-5-yl)propyl 4-iodobenzoate 3-(1H-imidazol-5-yl)propyl 4-iodanylbenzoate
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Formula C13H13IN2O2
InChI InChI=1S/C13H13IN2O2/c14-11-5-3-10(4-6-11)13(17)18-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)
InChIKey QFNFPJBLDYXDDK-UHFFFAOYSA-N
Molecular Weight 356.163 g/mol
SMILES [nH]1cc(nc1)CCCOC(c1ccc(cc1)I)=O
SPLASH splash10-052b-9310000000-3d49a5ae17c9abf67709
Source of Spectrum E1-39-1224-8
Wiley ID 1598728