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Tributyl((E)-2-((2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl)vinyl)stannane
SpectraBase Compound ID nc0ZwUbwvd
InChI InChI=1S/C14H17O3.3C4H9.Sn/c1-4-13-10(2)9-16-14(17-13)11-5-7-12(15-3)8-6-11;3*1-3-4-2;/h1,4-8,10,13-14H,9H2,2-3H3;3*1,3-4H2,2H3;/t10-,13+,14-;;;;/m1..../s1
InChIKey KEFVEDXDCSXWOV-HPYOXNPXSA-N
Mol Weight 523.3 g/mol
Molecular Formula C26H44O3Sn
Exact Mass 524.231247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID s72BoVBZra
Name Tributyl((E)-2-((2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl)vinyl)stannane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O3Sn
InChI InChI=1S/C14H17O3.3C4H9.Sn/c1-4-13-10(2)9-16-14(17-13)11-5-7-12(15-3)8-6-11;3*1-3-4-2;/h1,4-8,10,13-14H,9H2,2-3H3;3*1,3-4H2,2H3;/t10-,13+,14-;;;;/m1..../s1
InChIKey KEFVEDXDCSXWOV-HPYOXNPXSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 523.346 g/mol
Optical Rotation [a]D20 = -22.0 (c = 1.1, CHCl3)
Reported Formula C26H44O3Sn
SMILES C1[C@@](C)([C@@](O[C@@](O1)(c1ccc(cc1)OC)[H])(\C=C\[Sn](CCCC)(CCCC)CCCC)[H])[H]
SPLASH splash10-014i-0300900000-5c8e8a8b11bf11058b97
Source of Spectrum QE-25-SM4-S4
Wiley ID 1846016