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(1R,2R,8S)-1,8-Dimethyl-5-methoxytricyclo[4.4.0.0(2,8)]decan-7,10-dione
SpectraBase Compound ID 6A7DxgcYUuE
InChI InChI=1S/C13H18O3/c1-12-6-9(14)13(2)8(12)5-4-7(16-3)10(13)11(12)15/h7-8,10H,4-6H2,1-3H3/t7?,8-,10-,12+,13-/m0/s1
InChIKey YKWCTIBJNWTWKD-YPSUHPQTSA-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 HJtPwjxck2K
Name (1R,2R,8S)-1,8-Dimethyl-5-methoxytricyclo[4.4.0.0(2,8)]decan-7,10-dione
Appearance solid
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-12-6-9(14)13(2)8(12)5-4-7(16-3)10(13)11(12)15/h7-8,10H,4-6H2,1-3H3/t7?,8-,10-,12+,13-/m0/s1
InChIKey YKWCTIBJNWTWKD-YPSUHPQTSA-N
Instrument Name JEOL MS-DX 303
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.806
Molecular Weight 222.284 g/mol
SMILES C1(OC)CC[C@@]2([H])[C@]3(C)C(=O)[C@]1([C@]2(C)C(C3)=O)[H]
SPLASH splash10-00bc-8910000000-a1074d5bd198e4bdaf26
Source of Spectrum ARK-2004-43-11
Wiley ID 1876037