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2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-(3-iodopropyl)-,ethyl ester(1.alpha.,3.alpha.,4.alpha.)
SpectraBase Compound ID GYMzzDS7BEd
InChI InChI=1S/C13H20INO2/c1-2-17-13(16)15-11-7-5-10(6-8-11)12(15)4-3-9-14/h5,7,10-12H,2-4,6,8-9H2,1H3/t10-,11+,12-/m0/s1
InChIKey VMJNKWQLSJHRCV-TUAOUCFPSA-N
Mol Weight 349.21 g/mol
Molecular Formula C13H20INO2
Exact Mass 349.053874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7VGM5WU2HF
Name 2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-(3-iodopropyl)-,ethyl ester(1.alpha.,3.alpha.,4.alpha.)
CAS Registry Number 96193-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20INO2
InChI InChI=1S/C13H20INO2/c1-2-17-13(16)15-11-7-5-10(6-8-11)12(15)4-3-9-14/h5,7,10-12H,2-4,6,8-9H2,1H3/t10-,11+,12-/m0/s1
InChIKey VMJNKWQLSJHRCV-TUAOUCFPSA-N
Molecular Weight 349.212 g/mol
SMILES C(N1[C@]([C@@]2([H])C=C[C@@]1(CC2)[H])(CCCI)[H])(=O)OCC
SPLASH splash10-0f89-5900000000-fec6c6e97dd8397c308e
Source of Spectrum J-50-1894-3
Synonyms Ethyl (1S,3S,4R)-3-(3-iodopropyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1341225