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2-(4-Methyl-7-oxo-(1.alpha.H),2,3,(4,beta.H),(4a.alpha..H),5,6,7,8,(8a.alpha.H)-decahydronaphthalen-1-yl)propionic acid
SpectraBase Compound ID BK9lJnc88oU
InChI InChI=1S/C14H22O3/c1-8-3-5-12(9(2)14(16)17)13-7-10(15)4-6-11(8)13/h8-9,11-13H,3-7H2,1-2H3,(H,16,17)/t8-,9-,11+,12+,13+/m1/s1
InChIKey ZVUUTVARYFEWPE-QVWLAYSOSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwnSi6pi41O
Name 2-(4-Methyl-7-oxo-(1.alpha.H),2,3,(4,beta.H),(4a.alpha..H),5,6,7,8,(8a.alpha.H)-decahydronaphthalen-1-yl)propionic acid
Alternate Name(s) (2R)-2-[(1R,4R,4aS,8aS)-4-methyl-7-oxo-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalen-1-yl]propanoic acid (2R)-2-[(1R,4R,4aS,8aS)-4-methyl-7-oxo-decalin-1-yl]propanoic acid (2R)-2-[(1R,4R,4aS,8aS)-4-methyl-7-oxidanylidene-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalen-1-yl]propanoic acid
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-8-3-5-12(9(2)14(16)17)13-7-10(15)4-6-11(8)13/h8-9,11-13H,3-7H2,1-2H3,(H,16,17)/t8-,9-,11+,12+,13+/m1/s1
InChIKey ZVUUTVARYFEWPE-QVWLAYSOSA-N
Molecular Weight 238.327 g/mol
SMILES OC([C@@]([C@]1([C@@]2([C@@](CCC(C2)=O)([C@@](CC1)(C)[H])[H])[H])[H])(C)[H])=O
SPLASH splash10-03di-0900000000-aded81ec3139426b448f
Source of Spectrum KC-60-1132-4
Wiley ID 1583227