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(1R,2R,5S)-Methyl (E)-3-[2,4-Dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]propenoate
SpectraBase Compound ID 2Xqp87n7y4k
InChI InChI=1S/C13H16O3/c1-8-10(4-7-13(14)15-3)9(2)12-6-5-11(8)16-12/h4-8,11-12H,1-3H3/b7-4+/t8-,11-,12+/m1/s1
InChIKey KPUQDNXKWVULIN-XBBLFRQWSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQE7tXbm05g
Name (1R,2R,5S)-Methyl (E)-3-[2,4-Dimethyl-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]propenoate
Alternate Name(s) (E)-methyl 3-((1R,2R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octa-3,6-dien-3-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8-10(4-7-13(14)15-3)9(2)12-6-5-11(8)16-12/h4-8,11-12H,1-3H3/b7-4+/t8-,11-,12+/m1/s1
InChIKey KPUQDNXKWVULIN-XBBLFRQWSA-N
Literature Reference DOI 10.1002/adsc.200404194
Molecular Weight 220.268 g/mol
SMILES [C@@]1(C(=C([C@]2([H])C=C[C@@]1([H])O2)C)\C=C\C(OC)=O)(C)[H]
SPLASH splash10-006x-3900000000-525e37839f9658084bb8
Source of Spectrum ASC-346-1876-23
Wiley ID 1767524