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(3R,4R,E)-5-((4-Methoxybenzyl)oxy)-4-methyl-1-(tributylstannyl)pent-1-en-3-ol
SpectraBase Compound ID CecqBVSOf9W
InChI InChI=1S/C14H19O3.3C4H9.Sn/c1-4-14(15)11(2)9-17-10-12-5-7-13(16-3)8-6-12;3*1-3-4-2;/h1,4-8,11,14-15H,9-10H2,2-3H3;3*1,3-4H2,2H3;/t11-,14+;;;;/m1..../s1
InChIKey QTDLGJNAVUKRCZ-QZTHNMMWSA-N
Mol Weight 525.4 g/mol
Molecular Formula C26H46O3Sn
Exact Mass 526.246897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22o3PC124Ni
Name (3R,4R,E)-5-((4-Methoxybenzyl)oxy)-4-methyl-1-(tributylstannyl)pent-1-en-3-ol
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Formula C26H46O3Sn
InChI InChI=1S/C14H19O3.3C4H9.Sn/c1-4-14(15)11(2)9-17-10-12-5-7-13(16-3)8-6-12;3*1-3-4-2;/h1,4-8,11,14-15H,9-10H2,2-3H3;3*1,3-4H2,2H3;/t11-,14+;;;;/m1..../s1
InChIKey QTDLGJNAVUKRCZ-QZTHNMMWSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 525.362 g/mol
Optical Rotation [a]D 20 = -6.6 (c = 1.0, CHCl3)
Reported Formula C26H46O3Sn
SMILES O[C@]([C@@](COCc1ccc(cc1)OC)(C)[H])(\C=C\[Sn](CCCC)(CCCC)CCCC)[H]
SPLASH splash10-01b9-0600900000-6c1e9928ecd105aa2698
Sample Comments Regioisomer
Source of Spectrum QE-25-SM6-S7
Wiley ID 1846019