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6-Oxabicyclo[3.2.1]oct-2-en-7-one, 1-(3-butenyl)-8-iodo-5-methyl-, syn-(.+-.)-
SpectraBase Compound ID E8qJRTsOpXo
InChI InChI=1S/C12H15IO2/c1-3-4-7-12-8-5-6-11(2,9(12)13)15-10(12)14/h3,5,8-9H,1,4,6-7H2,2H3
InChIKey LTEJOTLEQXHSJA-UHFFFAOYSA-N
Mol Weight 318.15 g/mol
Molecular Formula C12H15IO2
Exact Mass 318.011675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Co7hwazxJL
Name 6-Oxabicyclo[3.2.1]oct-2-en-7-one, 1-(3-butenyl)-8-iodo-5-methyl-, syn-(.+-.)-
Alternate Name(s) 1-(3-butenyl)-8-iodo-5-methyl-6-oxabicyclo[3.2.1]oct-2-en-7-one rel-(1S,5S,8S)-1-(3-butenyl)-8-iodo-5-methyl-6-oxabicyclo[3.2.1]oct-2-en-7-one
CAS Registry Number 114837-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15IO2
InChI InChI=1S/C12H15IO2/c1-3-4-7-12-8-5-6-11(2,9(12)13)15-10(12)14/h3,5,8-9H,1,4,6-7H2,2H3
InChIKey LTEJOTLEQXHSJA-UHFFFAOYSA-N
Molecular Weight 318.154 g/mol
SMILES C12(C(OC(C2I)(C)CC=C1)=O)CCC=C
SPLASH splash10-0a4i-5900000000-e9698069629ddcb2f4a6
Source of Spectrum J-53-3213-13
Wiley ID 1317995