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(2R,3R,Z)-3-((4-Methoxybenzyl)oxy)-2-methyl-5-(tributylstannyl)pent-4-en-1-ol
SpectraBase Compound ID 2a8xiHV7BSU
InChI InChI=1S/C14H19O3.3C4H9.Sn/c1-4-14(11(2)9-15)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 VXRDQVDUSFIADD-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 FF3vAY0521r
Name (2R,3R,Z)-3-((4-Methoxybenzyl)oxy)-2-methyl-5-(tributylstannyl)pent-4-en-1-ol
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Formula C26H46O3Sn
InChI InChI=1S/C14H19O3.3C4H9.Sn/c1-4-14(11(2)9-15)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 VXRDQVDUSFIADD-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]D20 = -19.0 (c = 0.8, CHCl3)
Reported Formula C26H46O3Sn
SMILES OC[C@@](C)([C@@](OCc1ccc(cc1)OC)(\C=C/[Sn](CCCC)(CCCC)CCCC)[H])[H]
SPLASH splash10-01b9-0300900000-f8e2e16b8543e19ab3a3
Sample Comments Z-isomer
Source of Spectrum QE-25-SM5-S6
Wiley ID 1846018