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(1S*,4R*,5R*)-5-Hydroxy-1,3,3-trimethyl-7-phenylbicyclo[2.2.2]oct-7-en-2-one
SpectraBase Compound ID E2Ymkt84Yhg
InChI InChI=1S/C17H20O2/c1-16(2)13-9-12(11-7-5-4-6-8-11)17(3,15(16)19)10-14(13)18/h4-9,13-14,18H,10H2,1-3H3/t13-,14+,17-/m0/s1
InChIKey ZPNXAZJJGJYJHZ-VBQJREDUSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LD1VwwhOU4
Name (1S*,4R*,5R*)-5-Hydroxy-1,3,3-trimethyl-7-phenylbicyclo[2.2.2]oct-7-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-16(2)13-9-12(11-7-5-4-6-8-11)17(3,15(16)19)10-14(13)18/h4-9,13-14,18H,10H2,1-3H3/t13-,14+,17-/m0/s1
InChIKey ZPNXAZJJGJYJHZ-VBQJREDUSA-N
Molecular Weight 256.345 g/mol
SMILES O[C@]1([C@@]2([H])C(C([C@](C(=C2)c2ccccc2)(C1)C)=O)(C)C)[H]
SPLASH splash10-01bi-0910000000-4ce7ce5dd6eaa2cf49b7
Source of Spectrum F-68-6551-15
Synonyms (1S,4R,8R)-8-hydroxy-1,3,3-trimethyl-6-phenylbicyclo[2.2.2]oct-5-en-2-one (1R,4S,6R)-6-hydroxy-2,2,4-trimethyl-8-phenyl-3-bicyclo[2.2.2]oct-7-enone (1R,4S,6R)-6-hydroxy-2,2,4-trimethyl-8-phenylbicyclo[2.2.2]oct-7-en-3-one (1R,4S,6R)-2,2,4-trimethyl-6-oxidanyl-8-phenyl-bicyclo[2.2.2]oct-7-en-3-one
Wiley ID 1573270