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Methyl 9-Butyl-3-iodo-7,8-benzo-1-aza-14-oxo-15-oxabicyclo[3.3.1]nonan-1-carboxylate
SpectraBase Compound ID 9kdvAjbkusV
InChI InChI=1S/C17H20INO4/c1-3-4-7-12-14-11-9-6-5-8-10(11)13(18)15(23-16(12)20)19(14)17(21)22-2/h5-6,8-9,12-15H,3-4,7H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChIKey GCGAKBSUSNYZQN-XGUBFFRZSA-N
Mol Weight 429.25 g/mol
Molecular Formula C17H20INO4
Exact Mass 429.043703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWx5rldqKIt
Name Methyl 9-Butyl-3-iodo-7,8-benzo-1-aza-14-oxo-15-oxabicyclo[3.3.1]nonan-1-carboxylate
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Formula C17H20INO4
InChI InChI=1S/C17H20INO4/c1-3-4-7-12-14-11-9-6-5-8-10(11)13(18)15(23-16(12)20)19(14)17(21)22-2/h5-6,8-9,12-15H,3-4,7H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChIKey GCGAKBSUSNYZQN-XGUBFFRZSA-N
Molecular Weight 429.254 g/mol
SMILES [C@]12(N([C@]([C@@](C(O2)=O)(CCCC)[H])(c2c(cccc2)[C@]1(I)[H])[H])C(=O)OC)[H]
SPLASH splash10-000i-0910000000-8f564fa2f1aa1f3ebd6d
Source of Spectrum Y1-46-8998-4
Wiley ID 1622719