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(E)-8-(4-methoxybenzylidene)bicyclo[2.2.2]octan-7-one
SpectraBase Compound ID Hq5w30yWJ5a
InChI InChI=1S/C16H18O2/c1-18-14-8-2-11(3-9-14)10-15-12-4-6-13(7-5-12)16(15)17/h2-3,8-10,12-13H,4-7H2,1H3/b15-10+/t12-,13+
InChIKey LHKCBHMTXPMWTD-XFXCONDCSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vxrVjV3PYY
Name (E)-8-(4-methoxybenzylidene)bicyclo[2.2.2]octan-7-one
Classification Anisoles
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 242.130679818 u
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-18-14-8-2-11(3-9-14)10-15-12-4-6-13(7-5-12)16(15)17/h2-3,8-10,12-13H,4-7H2,1H3/b15-10+/t12-,13+
InChIKey LHKCBHMTXPMWTD-XFXCONDCSA-N
Molecular Weight 242.318 g/mol
Number of Peaks 12
SMILES C1[C@]2(CC[C@@](C1)(\C(C2=O)=C/c1ccc(cc1)OC)[H])[H]
SPLASH splash10-0006-1290000000-0486f8e29277c258f8ed
Source of Spectrum FF-10-290-19 (DOI: 10.1002/ffj.2730100502)
Synonyms (1s,4s)-3-((E)-4-methoxybenzylidene)bicyclo[2.2.2]octan-2-one
Wiley ID 1801321