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Bicyclo[2.2.2]oct-5-en-2-one, 3-(3-iodopropyl)-1,3,4-trimethyl-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID 3IbqQLGGlGB
InChI InChI=1S/C14H21IO/c1-12-6-8-13(2,9-7-12)14(3,11(12)16)5-4-10-15/h6,8H,4-5,7,9-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKey RZCRSAJXSFWDSY-RDBSUJKOSA-N
Mol Weight 332.23 g/mol
Molecular Formula C14H21IO
Exact Mass 332.06371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PnixrI0uY5
Name Bicyclo[2.2.2]oct-5-en-2-one, 3-(3-iodopropyl)-1,3,4-trimethyl-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
Alternate Name(s) (1RS,3RS,4SR)-3-(3'-iodopropyl)-1,3,4-trimethyilbicyclo[2.2.2]oct-5-en-2-one (1S,3R,4R)-3-(3-iodopropyl)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one
CAS Registry Number 124017-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21IO
InChI InChI=1S/C14H21IO/c1-12-6-8-13(2,9-7-12)14(3,11(12)16)5-4-10-15/h6,8H,4-5,7,9-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKey RZCRSAJXSFWDSY-RDBSUJKOSA-N
Molecular Weight 332.225 g/mol
SMILES [C@]1(C([C@@]2(C)CC[C@@]1(C=C2)C)=O)(CCCI)C
SPLASH splash10-0a4l-5900000000-f69092fa72d9d2232c7e
Source of Spectrum H-72-590-49
Wiley ID 1329078