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3-[(4-Iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8-azabicycli[3.2.1]octane-2-carboxylic acid methyl ester
SpectraBase Compound ID 9ztf2cNDbz5
InChI InChI=1S/C17H20INO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15?/m1/s1
InChIKey BRRFCLVJGYVEQO-PEUVFPKISA-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 A3exUTE70CD
Name 3-[(4-Iodobenzoyl)oxy]-8-methyl-[1R-(exo,exo)]-8-azabicycli[3.2.1]octane-2-carboxylic acid methyl ester
Alternate Name(s) 3-[(4-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Methyl 3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Methyl 3-(4-iodophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Registry Number 141120-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20INO4
InChI InChI=1S/C17H20INO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15?/m1/s1
InChIKey BRRFCLVJGYVEQO-PEUVFPKISA-N
Molecular Weight 429.254 g/mol
SMILES [C@@]12(C([C@](OC(c3ccc(cc3)I)=O)(C[C@](N1C)(CC2)[H])[H])C(=O)OC)[H]
SPLASH splash10-001i-9810000000-b39eb2b2a33dd04befa6
Source of Spectrum E1-35-2182-2
Wiley ID 1574322