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Bicyclo[4.2.0]octan-2-one, 6-(3,3-dimethyl-1-butynyl)-8,8-dimethoxy-7,7-dimethyl-, cis-
SpectraBase Compound ID H1djFG0rjiU
InChI InChI=1S/C18H28O3/c1-15(2,3)11-12-17-10-8-9-13(19)14(17)18(20-6,21-7)16(17,4)5/h14H,8-10H2,1-7H3/t14-,17-/m0/s1
InChIKey QAJBVBSABPKHQG-YOEHRIQHSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBUIHUSXIbL
Name Bicyclo[4.2.0]octan-2-one, 6-(3,3-dimethyl-1-butynyl)-8,8-dimethoxy-7,7-dimethyl-, cis-
CAS Registry Number 134055-87-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-15(2,3)11-12-17-10-8-9-13(19)14(17)18(20-6,21-7)16(17,4)5/h14H,8-10H2,1-7H3/t14-,17-/m0/s1
InChIKey QAJBVBSABPKHQG-YOEHRIQHSA-N
Molecular Weight 292.419 g/mol
SMILES [C@]12([C@@](C(=O)CCC2)([H])C(C1(C)C)(OC)OC)C#CC(C)(C)C
SPLASH splash10-014i-0900000000-395dec366ec327239109
Source of Spectrum C-113-3909-27
Synonyms (1R,6R)-6-(3,3-dimethyl-1-butynyl)-8,8-dimethoxy-7,7-dimethylbicyclo[4.2.0]octan-2-one 2,2-Dimethyl-1,1-dimethoxy-3a-[(t-butyl)ethynyl]-7-oxobicyclo[4.2.0]octane
Wiley ID 1295745