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7-Acetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-2-one
SpectraBase Compound ID AGBu6WeYY0M
InChI InChI=1S/C12H16O4/c1-7(13)10-6-8-4-5-9(10)11(14)12(8,15-2)16-3/h4-5,8-10H,6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey QDVKJPUYABRPAN-UTLUCORTSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kLmFf4FPSW
Name 7-Acetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-7(13)10-6-8-4-5-9(10)11(14)12(8,15-2)16-3/h4-5,8-10H,6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey QDVKJPUYABRPAN-UTLUCORTSA-N
Molecular Weight 224.256 g/mol
SMILES C1(C([C@]2(C=C[C@@]1(C[C@]2(C(=O)C)[H])[H])[H])=O)(OC)OC
SPLASH splash10-0fbd-8900000000-8ad7890370e94c39d69a
Source of Spectrum J-67-6498-13
Synonyms (1S*,4S*,7S*)-7-Acetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-2-one 7-Acetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1570765