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(1R)-1-(4-Methoxyphenyl)-5-(phenylselanyl)pentan-1-ol
SpectraBase Compound ID DLyx36fXSZd
InChI InChI=1S/C18H22O2Se/c1-20-16-12-10-15(11-13-16)18(19)9-5-6-14-21-17-7-3-2-4-8-17/h2-4,7-8,10-13,18-19H,5-6,9,14H2,1H3/t18-/m1/s1
InChIKey CEPLXGROHCBOCW-GOSISDBHSA-N
Mol Weight 349.34 g/mol
Molecular Formula C18H22O2Se
Exact Mass 350.078502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DMJzU10udB
Name (1R)-1-(4-Methoxyphenyl)-5-(phenylselanyl)pentan-1-ol
Comments Computed using HOSE algorithm
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Exact Mass 350.078501946 u
Formula C18H22O2Se
InChI InChI=1S/C18H22O2Se/c1-20-16-12-10-15(11-13-16)18(19)9-5-6-14-21-17-7-3-2-4-8-17/h2-4,7-8,10-13,18-19H,5-6,9,14H2,1H3/t18-/m1/s1
InChIKey CEPLXGROHCBOCW-GOSISDBHSA-N
Molecular Weight 349.344 g/mol
SMILES C1(=CC=C(C=C1)OC)[C@](O)(CCCC[Se]C=1C=CC=CC1)[H]