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5-Methyl-1(8a)-dehydro-8-[1-(methoxycarbonyl)ethyl]decalin-2-one isomer
SpectraBase Compound ID 8qCrvN7X8qZ
InChI InChI=1S/C15H22O3/c1-9-4-6-13(10(2)15(17)18-3)14-8-11(16)5-7-12(9)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12+,13-/m1/s1
InChIKey ULMIEIDEVSOMQF-VCDKRKBESA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJpnj3nDSol
Name 5-Methyl-1(8a)-dehydro-8-[1-(methoxycarbonyl)ethyl]decalin-2-one isomer
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-4-6-13(10(2)15(17)18-3)14-8-11(16)5-7-12(9)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12+,13-/m1/s1
InChIKey ULMIEIDEVSOMQF-VCDKRKBESA-N
Molecular Weight 250.338 g/mol
SMILES C=12[C@@]([C@](C(=O)OC)(C)[H])(CC[C@]([C@@]2(CCC(C1)=O)[H])(C)[H])[H]
SPLASH splash10-03di-0910000000-512f2ad5ca6dfbb92287
Source of Spectrum KC-0-3440-14
Synonyms (R)-2-((1R,4R,4aS)-4-Methyl-7-oxo-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-yl)-propionic acid methyl ester (2R)-2-[(1R,4R,4aS)-4-methyl-7-oxo-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoic acid methyl ester Methyl (2R)-2-[(1R,4R,4aS)-4-methyl-7-oxo-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoate Methyl (2R)-2-[(1R,4R,4aS)-4-methyl-7-oxidanylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoate
Wiley ID 823921