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Methyl (2'SR,4a'SR,8'RS,8a'RS)-2-(2'-Methyl-1'-oxo-1',2',3',4',4a',5',8',8a'-octahydronaphthalen-8'-yl)acetate
SpectraBase Compound ID ET6vbdKUZIJ
InChI InChI=1S/C14H20O3/c1-9-6-7-10-4-3-5-11(8-12(15)17-2)13(10)14(9)16/h3,5,9-11,13H,4,6-8H2,1-2H3/t9-,10+,11-,13+/m0/s1
InChIKey ODHAPMSVQCUVNL-SRRSOLGSSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sFprlEP5xC
Name Methyl (2'SR,4a'SR,8'RS,8a'RS)-2-(2'-Methyl-1'-oxo-1',2',3',4',4a',5',8',8a'-octahydronaphthalen-8'-yl)acetate
Alternate Name(s) 2-[(1R,4aS,7S,8aR)-7-methyl-8-oxo-4,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]acetic acid methyl ester methyl 2-[(1R,4aS,7S,8aR)-7-methyl-8-oxo-4,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]acetate methyl 2-[(1R,4aS,7S,8aR)-7-methyl-8-oxidanylidene-4,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-9-6-7-10-4-3-5-11(8-12(15)17-2)13(10)14(9)16/h3,5,9-11,13H,4,6-8H2,1-2H3/t9-,10+,11-,13+/m0/s1
InChIKey ODHAPMSVQCUVNL-SRRSOLGSSA-N
Molecular Weight 236.311 g/mol
SMILES C1([C@]2([C@](CC(=O)OC)(C=CC[C@]2([H])CC[C@@]1(C)[H])[H])[H])=O
SPLASH splash10-004i-0920000000-03292417f450928a09da
Source of Spectrum F-55-10093-11
Wiley ID 838912