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6-Oxabicyclo[3.2.1]oct-2-ene-5-propanal, 8-iodo-1-methyl-7-oxo-, syn-(.+-.)-
SpectraBase Compound ID 86dI0Ay3KN2
InChI InChI=1S/C11H13IO3/c1-10-4-2-5-11(8(10)12,6-3-7-13)15-9(10)14/h2,4,7-8H,3,5-6H2,1H3
InChIKey YWOYCLKGBLFWFT-UHFFFAOYSA-N
Mol Weight 320.13 g/mol
Molecular Formula C11H13IO3
Exact Mass 319.990939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrVhASKJ3Ok
Name 6-Oxabicyclo[3.2.1]oct-2-ene-5-propanal, 8-iodo-1-methyl-7-oxo-, syn-(.+-.)-
Alternate Name(s) 3-(8-iodo-1-methyl-7-oxo-6-oxabicyclo[3.2.1]oct-2-en-5-yl)propanal rel-(1S,5S,8S)-8-iodo-1-methyl-5-(3-oxopropyl)-6-oxabicyclo[3.2.1]oct-2-en-7-one
CAS Registry Number 114837-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13IO3
InChI InChI=1S/C11H13IO3/c1-10-4-2-5-11(8(10)12,6-3-7-13)15-9(10)14/h2,4,7-8H,3,5-6H2,1H3
InChIKey YWOYCLKGBLFWFT-UHFFFAOYSA-N
Molecular Weight 320.126 g/mol
SMILES C12(C(OC(C2I)(CCC=O)CC=C1)=O)C
SPLASH splash10-0a4i-1900000000-03307a11f75bac7ed393
Source of Spectrum J-53-3217-46
Wiley ID 1319653