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ISOMER-#1

View entire compound with spectra: 2 NMR, and 1 MS (GC)

ISOMER-#1
SpectraBase Compound ID DbgGlH7GZql
InChI InChI=1S/C15H13FO2.3C4H9.Sn/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;3*1-3-4-2;/h2-10H,1H3,(H,17,18);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey KDVSCSSYYXKMNQ-UHFFFAOYSA-M
Mol Weight 533.3 g/mol
Molecular Formula C27H39FO2Sn
Exact Mass 534.195611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75lY2o92lBk
Name Tributylstannyl 2-(3'-fluoro-4',4"-biphenyl)-propanoate
Alternate Name(s) 2-(3-fluoro-4-phenylphenyl)propanoic acid tributylstannyl ester Tributylstannyl 2-(3-fluoro-4-phenylphenyl)propanoate Tributylstannyl 2-(3-fluoro-4-phenyl-phenyl)propanoate Tributylstannyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate
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Formula C27H39FO2Sn
InChI InChI=1S/C15H13FO2.3C4H9.Sn/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;3*1-3-4-2;/h2-10H,1H3,(H,17,18);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey KDVSCSSYYXKMNQ-UHFFFAOYSA-M
Molecular Weight 533.316 g/mol
SMILES C(O[Sn](CCCC)(CCCC)CCCC)(C(c1cc(F)c(cc1)-c1ccccc1)C)=O
SPLASH splash10-004r-0160900000-a68dd05a2a942460d9fe
Source of Spectrum AH-1333-1091-1
Wiley ID 1546687