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3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-1-phenylpropan-1-one
SpectraBase Compound ID 9heIbYVlVgX
InChI InChI=1S/C18H22O/c1-18(2)15-10-8-13(16(18)12-15)9-11-17(19)14-6-4-3-5-7-14/h3-8,15-16H,9-12H2,1-2H3/t15-,16-/m1/s1
InChIKey LBNHBXMTOJEPKR-HZPDHXFCSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nqdvDu4b6R
Name 3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-1-phenylpropan-1-one
Appearance Yellow oil
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Exact Mass 254.167065327 u
Formula C18H22O
InChI InChI=1S/C18H22O/c1-18(2)15-10-8-13(16(18)12-15)9-11-17(19)14-6-4-3-5-7-14/h3-8,15-16H,9-12H2,1-2H3/t15-,16-/m1/s1
InChIKey LBNHBXMTOJEPKR-HZPDHXFCSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202116625
Molecular Weight 254.373 g/mol
Quality 156
Reported Formula C18H22O
SMILES C1[C@]2(C([C@@]1(CC=C2CCC(C1=CC=CC=C1)=O)[H])(C)C)[H]
SPLASH splash10-066u-4900000000-e332d3f723f446ccedb8
Source of Spectrum ACI-61-SM22-3i (DOI: 10.1002/anie.202116625)
Wiley ID 1897517