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(1R*,4R*)-3,3-Dimethoxy-6-phenylbicyclo[2.2.2]octa-5,7-dien-2-one
SpectraBase Compound ID D6bJPl2HzDg
InChI InChI=1S/C16H16O3/c1-18-16(19-2)12-8-9-13(15(16)17)14(10-12)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/t12-,13-/m1/s1
InChIKey PMBHPOPPCRBPJE-CHWSQXEVSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AytOa9nxpXP
Name (1R*,4R*)-3,3-Dimethoxy-6-phenylbicyclo[2.2.2]octa-5,7-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-18-16(19-2)12-8-9-13(15(16)17)14(10-12)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/t12-,13-/m1/s1
InChIKey PMBHPOPPCRBPJE-CHWSQXEVSA-N
Molecular Weight 256.301 g/mol
SMILES C=1([C@@]2(C(=O)C([C@@](C1)(C=C2)[H])(OC)OC)[H])c1ccccc1
SPLASH splash10-0pi0-9500000000-a3b604785164457cc1b4
Source of Spectrum F5-4-2276-30aN
Synonyms (1R,4R)-8,8-dimethoxy-2-phenylbicyclo[2.2.2]octa-2,5-dien-7-one
Wiley ID 1732821