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(1S,2S,3R,5S)-2-Methyl-5-(1-methylethenyl)-3-(phenylseleno)cyclohexanol tetrahydropyranyl ether
SpectraBase Compound ID FRoi1cbQk2b
InChI InChI=1S/C21H30O2Se/c1-15(2)17-13-19(23-21-11-7-8-12-22-21)16(3)20(14-17)24-18-9-5-4-6-10-18/h4-6,9-10,16-17,19-21H,1,7-8,11-14H2,2-3H3/t16-,17-,19-,20+,21?/m0/s1
InChIKey JAUUKNXXUTXLPF-QBUNBBAZSA-N
Mol Weight 393.44 g/mol
Molecular Formula C21H30O2Se
Exact Mass 394.141102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtcMCnCBJgT
Name (1S,2S,3R,5S)-2-Methyl-5-(1-methylethenyl)-3-(phenylseleno)cyclohexanol tetrahydropyranyl ether
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Formula C21H30O2Se
InChI InChI=1S/C21H30O2Se/c1-15(2)17-13-19(23-21-11-7-8-12-22-21)16(3)20(14-17)24-18-9-5-4-6-10-18/h4-6,9-10,16-17,19-21H,1,7-8,11-14H2,2-3H3/t16-,17-,19-,20+,21?/m0/s1
InChIKey JAUUKNXXUTXLPF-QBUNBBAZSA-N
Molecular Weight 393.441 g/mol
SMILES [C@]1([C@]([C@@](OC2OCCCC2)(C[C@@](C1)(C(=C)C)[H])[H])(C)[H])([Se]c1ccccc1)[H]
SPLASH splash10-000i-9011000000-e5aff60b24e2281ef810
Source of Spectrum E1-39-2519-14
Synonyms (1S,2S,3R,5S)-5-isopropenyl-2-methyl-3-(phenylselanyl)cyclohexyl tetrahydro-2H-pyran-2-yl ether 2-{[(1S,2S,3R,5S)-5-isopropenyl-2-methyl-3-(phenylselanyl)cyclohexyl]oxy}tetrahydro-2H-pyran
Wiley ID 1519065