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5-(Ethoxycarbonyl)tricyclo[4.4.0.1(1,4)]decane-10-one
SpectraBase Compound ID 8YWG3VDQRLb
InChI InChI=1S/C13H18O3/c1-2-16-12(15)11-8-6-7-13(11)9(8)4-3-5-10(13)14/h8-9,11H,2-7H2,1H3/t8-,9+,11+,13+/m0/s1
InChIKey ALSKKHHEVDCSCZ-SEMCEJNYSA-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 1jp5r91RbOs
Name 5-(Ethoxycarbonyl)tricyclo[4.4.0.1(1,4)]decane-10-one
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-16-12(15)11-8-6-7-13(11)9(8)4-3-5-10(13)14/h8-9,11H,2-7H2,1H3/t8-,9+,11+,13+/m0/s1
InChIKey ALSKKHHEVDCSCZ-SEMCEJNYSA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]123[C@@](C(=O)OCC)([C@@]([C@]3(CCCC1=O)[H])([H])CC2)[H]
SPLASH splash10-0095-4900000000-9c7373070115b6a20af3
Source of Spectrum C-119-8785-25
Synonyms (1S,7aR)-4-Oxo-octahydro-1,3a-methano-indene-8-carboxylic acid ethyl ester
Wiley ID 760627