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6-tributylstannylazulene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID CmxaYUu7oaC
InChI InChI=1S/C16H15O4.3C4H9.Sn/c1-3-19-15(17)13-10-14(16(18)20-4-2)12-9-7-5-6-8-11(12)13;3*1-3-4-2;/h6-10H,3-4H2,1-2H3;3*1,3-4H2,2H3;
InChIKey CDWNQTDRCVUAID-UHFFFAOYSA-N
Mol Weight 561.4 g/mol
Molecular Formula C28H42O4Sn
Exact Mass 562.210512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oVQryKlNtX
Name 6-tributylstannylazulene-1,3-dicarboxylic acid diethyl ester
Alternate Name(s) diethyl 6-tributylstannylazulene-1,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C28H42O4Sn
InChI InChI=1S/C16H15O4.3C4H9.Sn/c1-3-19-15(17)13-10-14(16(18)20-4-2)12-9-7-5-6-8-11(12)13;3*1-3-4-2;/h6-10H,3-4H2,1-2H3;3*1,3-4H2,2H3;
InChIKey CDWNQTDRCVUAID-UHFFFAOYSA-N
Molecular Weight 561.351 g/mol
SMILES c1(cc(c2ccc(ccc12)[Sn](CCCC)(CCCC)CCCC)C(=O)OCC)C(=O)OCC
SPLASH splash10-0a4i-0000090000-eb6c8d0ed546c6a01331
Source of Spectrum K-2002-1902-1
Wiley ID 1612988