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4,7,7-trimethylbicyclo[2.2.1]heptan-3-one-2,-spiro-1'-2'-phenylcyclopropane
SpectraBase Compound ID 3Cxu45BK277
InChI InChI=1S/C18H22O/c1-16(2)14-9-10-17(16,3)15(19)18(14)11-13(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13?,14-,17-,18+/m0/s1
InChIKey XFQOWEMCCCGOQQ-ADKJBXEHSA-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 8jjXenpprBI
Name 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one-2,-spiro-1'-2'-phenylcyclopropane
Comments Less than 3 mono-isotopic peaks
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Formula C18H22O
InChI InChI=1S/C18H22O/c1-16(2)14-9-10-17(16,3)15(19)18(14)11-13(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13?,14-,17-,18+/m0/s1
InChIKey XFQOWEMCCCGOQQ-ADKJBXEHSA-N
Molecular Weight 254.373 g/mol
SMILES [C@@]12(C([C@@]3(C)C([C@@]2(CC3)[H])(C)C)=O)C(c2ccccc2)C1
SPLASH splash10-0udi-0390000000-24c474c39aeea798d1b3
Source of Spectrum AJ-70-203-14
Wiley ID 774083