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1,5-Dimethy-8-[1-(methoxycarbonyl)-1-hydroxyethyl]bicyclo[4.4.0]deca-3-ene-2,7-dione isomer
SpectraBase Compound ID E3teHUFLxX
InChI InChI=1S/C16H22O5/c1-9-5-6-11(17)15(2)8-7-10(13(18)12(9)15)16(3,20)14(19)21-4/h5-6,9-10,12,20H,7-8H2,1-4H3/t9?,10-,12+,15-,16-/m1/s1
InChIKey YALXCFHMIDNEDU-KIOYFEAPSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECSXv98L8ED
Name 1,5-Dimethy-8-[1-(methoxycarbonyl)-1-hydroxyethyl]bicyclo[4.4.0]deca-3-ene-2,7-dione isomer
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Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-9-5-6-11(17)15(2)8-7-10(13(18)12(9)15)16(3,20)14(19)21-4/h5-6,9-10,12,20H,7-8H2,1-4H3/t9?,10-,12+,15-,16-/m1/s1
InChIKey YALXCFHMIDNEDU-KIOYFEAPSA-N
Molecular Weight 294.347 g/mol
SMILES O[C@]([C@]1(C([C@]2([C@@](C(=O)C=CC2C)(CC1)C)[H])=O)[H])(C(=O)OC)C
SPLASH splash10-056u-5940000000-7fcaec23260f44f13847
Source of Spectrum G4-63-936-6
Synonyms (R)-2-((2S,4aS,8aR)-4a,8-Dimethyl-1,5-dioxo-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-2-yl)-2-hydroxy-propionic acid methyl ester 4,8-Dioxo-5,9-dimethyl-3-[1'-(methoxycarbonyl)-1'-hydroxyethyl]-1,2,3,4,5,8,9,10-octahydronaphthalene
Wiley ID 1608477