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(+-)-(1S*,2S*,6R*)-2-Methyl-2-(4-oxopentyl)tricyclo[6.3.1,0(1,6)]dodecan-4,9-dione
SpectraBase Compound ID 3pEf2RjUj4N
InChI InChI=1S/C18H26O3/c1-12(19)4-3-6-17(2)11-15(20)9-14-8-13-10-18(14,17)7-5-16(13)21/h13-14H,3-11H2,1-2H3/t13?,14-,17+,18+/m1/s1
InChIKey WUYVLINGUHJSRR-QVAHCTSVSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79PfFbl84mf
Name (+-)-(1S*,2S*,6R*)-2-Methyl-2-(4-oxopentyl)tricyclo[6.3.1,0(1,6)]dodecan-4,9-dione
Comments Less than 3 mono-isotopic peaks
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Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-12(19)4-3-6-17(2)11-15(20)9-14-8-13-10-18(14,17)7-5-16(13)21/h13-14H,3-11H2,1-2H3/t13?,14-,17+,18+/m1/s1
InChIKey WUYVLINGUHJSRR-QVAHCTSVSA-N
Molecular Weight 290.403 g/mol
SMILES [C@]123[C@](CC(C3)C(CC1)=O)(CC(C[C@@]2(CCCC(=O)C)C)=O)[H]
SPLASH splash10-0a4i-0090000000-c4715a02d4a12dd8a646
Source of Spectrum J-66-4836-12
Synonyms (+-)-(1S*,2S*,6R*,8R*)-2-Methyl-2-(4-oxopentyl)tricyclo[6.3.1,0(1,6)]dodecan-4,9-dione (1S,2S,6R)-2-methyl-2-(4-oxopentyl)tricyclo[6.3.1.0(1,6)]dodecane-4,9-dione
Wiley ID 1535532