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7-Acetyl-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-ene-2-one
SpectraBase Compound ID 3E7LCpCKB1Z
InChI InChI=1S/C13H18O4/c1-7-5-9-6-10(8(2)14)11(7)12(15)13(9,16-3)17-4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1
InChIKey KPONAUAFSYVVDR-VWYCJHECSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0ZCNzyf8N7
Name 7-Acetyl-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-ene-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7-5-9-6-10(8(2)14)11(7)12(15)13(9,16-3)17-4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1
InChIKey KPONAUAFSYVVDR-VWYCJHECSA-N
Molecular Weight 238.283 g/mol
SMILES C1(C([C@]2(C[C@]([C@@]1(C(=C2)C)[H])(C(=O)C)[H])[H])(OC)OC)=O
SPLASH splash10-01ox-9620000000-b5ca0138143def4eb87c
Source of Spectrum J-67-6499-15
Synonyms (1R*,2S*,4S*)-7-Acetyl-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-ene-2-one 7-Acetyl-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1570859