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(R)-3-(Tributylstannylmethyl)but-3-en-2-yl (S)-O-acetylmandelate
SpectraBase Compound ID CAsikcZgesb
InChI InChI=1S/C15H17O4.3C4H9.Sn/c1-10(2)11(3)18-15(17)14(19-12(4)16)13-8-6-5-7-9-13;3*1-3-4-2;/h5-9,11,14H,1-2H2,3-4H3;3*1,3-4H2,2H3;/t11-,14?;;;;/m1..../s1
InChIKey HTKCKTMQHRLYRX-VLSCCQKLSA-N
Mol Weight 551.4 g/mol
Molecular Formula C27H44O4Sn
Exact Mass 552.226162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sWvPjbhSB9
Name (R)-3-(Tributylstannylmethyl)but-3-en-2-yl (S)-O-acetylmandelate
Alternate Name(s) (R)-3-(Tributylstannylmethyl)but-3-en-2-yl (R)-O-acetylmandelate (1R)-1-methyl-2-[(tributylstannyl)methyl]-2-propenyl (acetyloxy)(phenyl)acetate
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Formula C27H44O4Sn
InChI InChI=1S/C15H17O4.3C4H9.Sn/c1-10(2)11(3)18-15(17)14(19-12(4)16)13-8-6-5-7-9-13;3*1-3-4-2;/h5-9,11,14H,1-2H2,3-4H3;3*1,3-4H2,2H3;/t11-,14?;;;;/m1..../s1
InChIKey HTKCKTMQHRLYRX-VLSCCQKLSA-N
Molecular Weight 551.356 g/mol
SMILES C(C(OC(=O)C)c1ccccc1)(O[C@@](C(C[Sn](CCCC)(CCCC)CCCC)=C)(C)[H])=O
SPLASH splash10-004i-0900100000-eff1416523a2142185cc
Source of Spectrum KC-0-2554-21
Wiley ID 823180