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9-(Hydroxymethyl)-2-(methoxycarbonyl)-8-methylbicyclo[5.3.0]dec-8-en-10-one
SpectraBase Compound ID 7Af25M8DbIo
InChI InChI=1S/C14H20O4/c1-8-9-5-3-4-6-10(14(17)18-2)12(9)13(16)11(8)7-15/h9-10,12,15H,3-7H2,1-2H3/t9-,10-,12+/m0/s1
InChIKey WHFHOQMEZXTGFI-JBLDHEPKSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82eRInGqdVz
Name 9-(Hydroxymethyl)-2-(methoxycarbonyl)-8-methylbicyclo[5.3.0]dec-8-en-10-one
Alternate Name(s) (3aR,4S,8aR)-2-Hydroxymethyl-1-methyl-3-oxo-3,3a,4,5,6,7,8,8a-octahydro-azulene-4-carboxylic acid methyl ester Methyl 2-(hydroxymethyl)-1-methyl-3-oxo-3,3a,4,5,6,7,8,8a-octahydro-4-azulenecarboxylate
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-8-9-5-3-4-6-10(14(17)18-2)12(9)13(16)11(8)7-15/h9-10,12,15H,3-7H2,1-2H3/t9-,10-,12+/m0/s1
InChIKey WHFHOQMEZXTGFI-JBLDHEPKSA-N
Molecular Weight 252.310 g/mol
SMILES OCC=1C([C@]2([C@@](C(=O)OC)(CCCC[C@]2(C1C)[H])[H])[H])=O
SPLASH splash10-06tf-7900000000-7055e7dfb024e5349d77
Source of Spectrum C-114-10459-32
Wiley ID 1255619