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4-(Hydroxymethyl)-8-(methoxycarbonyl)-3-methylbicyclo[3.3.0]oct-3-en-2-one
SpectraBase Compound ID 3ICePZcp7SC
InChI InChI=1S/C12H16O4/c1-6-9(5-13)7-3-4-8(12(15)16-2)10(7)11(6)14/h7-8,10,13H,3-5H2,1-2H3/t7-,8-,10+/m0/s1
InChIKey QAWPPPVGESEXKI-OYNCUSHFSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88iE1curpkJ
Name 4-(Hydroxymethyl)-8-(methoxycarbonyl)-3-methylbicyclo[3.3.0]oct-3-en-2-one
Alternate Name(s) (1S,3aR,6aR)-4-Hydroxymethyl-5-methyl-6-oxo-1,2,3,3a,6,6a-hexahydro-pentalene-1-carboxylic acid methyl ester Methyl 4-(hydroxymethyl)-5-methyl-6-oxo-1,2,3,3a,6,6a-hexahydro-1-pentalenecarboxylate
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-6-9(5-13)7-3-4-8(12(15)16-2)10(7)11(6)14/h7-8,10,13H,3-5H2,1-2H3/t7-,8-,10+/m0/s1
InChIKey QAWPPPVGESEXKI-OYNCUSHFSA-N
Molecular Weight 224.256 g/mol
SMILES OCC1=C(C([C@@]2([C@]1(CC[C@@]2(C(=O)OC)[H])[H])[H])=O)C
SPLASH splash10-02tc-5900000000-3506936e04ce21376767
Source of Spectrum C-114-10458-15
Wiley ID 1225046