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(1S*,4S*,7S*)-1,3,3-Trimethyl-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID 735JRZMlGZI
InChI InChI=1S/C13H18O3/c1-12(2)8-5-6-13(3,11(12)15)9(7-8)10(14)16-4/h5-6,8-9H,7H2,1-4H3/t8-,9+,13+/m1/s1
InChIKey MKWHSHJEQSTUTO-ZDMBXUJBSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KARvZrvS5Fo
Name (1S*,4S*,7S*)-1,3,3-Trimethyl-7-methoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-12(2)8-5-6-13(3,11(12)15)9(7-8)10(14)16-4/h5-6,8-9H,7H2,1-4H3/t8-,9+,13+/m1/s1
InChIKey MKWHSHJEQSTUTO-ZDMBXUJBSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12(C(C(C)(C)[C@](C=C2)(C[C@]1(C(=O)OC)[H])[H])=O)C
SPLASH splash10-0fr6-9200000000-fed9ece2b658d8658eb7
Source of Spectrum F-69-457-1
Synonyms Methyl 1,8,8-trimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1594540