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(1R,2S) Methyl 5-(8-oximido-3-methylene-1,7,7-trimethylbicyclo[4.4.0]decan-2-yl)-3-methylpent-2-enoate
SpectraBase Compound ID IV1Ip2vTyXN
InChI InChI=1S/C21H33NO3/c1-14(13-19(23)25-6)7-9-16-15(2)8-10-17-20(3,4)18(22-24)11-12-21(16,17)5/h13,16-17,24H,2,7-12H2,1,3-6H3/b14-13+,22-18+/t16-,17?,21+/m0/s1
InChIKey OERXPYDLGUNGNE-PSHFJPTQSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUZvVS11MMN
Name (1R,2S) Methyl 5-(8-oximido-3-methylene-1,7,7-trimethylbicyclo[4.4.0]decan-2-yl)-3-methylpent-2-enoate
Alternate Name(s) Methyl (2E)-5-[(1S,6E,8aR)-6-(hydroxyimino)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoate Methyl 5-(8-oximido-3-methylene-1,7,7-trimethylbicyclo[4.4.0]decan-2-yl)-3-methylpent-2-enoate
Comments Edited after expert review - Original record with SpectrumID 1597574 removed
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Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-14(13-19(23)25-6)7-9-16-15(2)8-10-17-20(3,4)18(22-24)11-12-21(16,17)5/h13,16-17,24H,2,7-12H2,1,3-6H3/b14-13+,22-18+/t16-,17?,21+/m0/s1
InChIKey OERXPYDLGUNGNE-PSHFJPTQSA-N
Molecular Weight 347.499 g/mol
SMILES O\N=C/1CC[C@]2(C(C1(C)C)CCC([C@@]2(CC\C(=C\C(=O)OC)C)[H])=C)C
SPLASH splash10-0ab9-9721000000-3b65f0af303c8319cdfa
Source of Spectrum F-70-8271-23
Wiley ID 1718203