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(1S,2R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl 3-oxopentanoate
SpectraBase Compound ID 6NhexY3SoFL
InChI InChI=1S/C27H32O4/c1-4-22(28)18-24(29)31-23-17-21-15-16-26(23,25(21,2)3)27(30,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21,23,30H,4,15-18H2,1-3H3/t21-,23-,26-/m1/s1
InChIKey JBXDWWMCAFPYIB-WHSBFGAESA-N
Mol Weight 420.5 g/mol
Molecular Formula C27H32O4
Exact Mass 420.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aqF9JZzxA
Name (1S,2R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl 3-oxopentanoate
Alternate Name(s) 3-Oxopentanoic acid [(1R,3R,4S)-4-[hydroxy(diphenyl)methyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester [(1R,3R,4S)-4-[hydroxy(diphenyl)methyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] 3-oxopentanoate [(1S,2R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethyl-norbornan-2-yl] 3-oxopentanoate [(1R,3R,4S)-7,7-dimethyl-4-[oxidanyl(diphenyl)methyl]-3-bicyclo[2.2.1]heptanyl] 3-oxidanylidenepentanoate
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Formula C27H32O4
InChI InChI=1S/C27H32O4/c1-4-22(28)18-24(29)31-23-17-21-15-16-26(23,25(21,2)3)27(30,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21,23,30H,4,15-18H2,1-3H3/t21-,23-,26-/m1/s1
InChIKey JBXDWWMCAFPYIB-WHSBFGAESA-N
Molecular Weight 420.549 g/mol
SMILES OC([C@@]12C([C@](CC2)(C[C@]1(OC(CC(=O)CC)=O)[H])[H])(C)C)(c1ccccc1)c1ccccc1
SPLASH splash10-0a59-2900000000-c3db5688fcfe2a732f26
Source of Spectrum F-67-931-3n
Wiley ID 1685600