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(1R,2R,5S)-Methyl (E)-3-[2,4-Dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]propenoate
SpectraBase Compound ID GmjkA0M22mE
InChI InChI=1S/C13H18O3/c1-8-10(4-7-13(14)15-3)9(2)12-6-5-11(8)16-12/h4,7-8,11-12H,5-6H2,1-3H3/b7-4+/t8-,11-,12+/m1/s1
InChIKey XIFHDWKVXRGZHW-XBBLFRQWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCUaZtIiihN
Name (1R,2R,5S)-Methyl (E)-3-[2,4-Dimethyl-8-oxabicyclo[3.2.1]oct-2-en-3-yl]propenoate
Alternate Name(s) (E)-methyl 3-((1R,2R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-3-en-3-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-10(4-7-13(14)15-3)9(2)12-6-5-11(8)16-12/h4,7-8,11-12H,5-6H2,1-3H3/b7-4+/t8-,11-,12+/m1/s1
InChIKey XIFHDWKVXRGZHW-XBBLFRQWSA-N
Literature Reference DOI 10.1002/adsc.200404194
Molecular Weight 222.284 g/mol
SMILES [C@@]1(C(=C([C@]2([H])CC[C@@]1([H])O2)C)\C=C\C(OC)=O)(C)[H]
SPLASH splash10-00vm-2920000000-771f3ba3eb24552e0e7c
Source of Spectrum ASC-346-1876-24
Wiley ID 1767525