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Tetraethyl spiro[5.5]undeca-1,7-diene-3,9-diyldimalonate
SpectraBase Compound ID B4WGqpapbok
InChI InChI=1S/C25H36O8/c1-5-30-21(26)19(22(27)31-6-2)17-9-13-25(14-10-17)15-11-18(12-16-25)20(23(28)32-7-3)24(29)33-8-4/h9,11,13,15,17-20H,5-8,10,12,14,16H2,1-4H3/t17-,18+,25-/m1/s1
InChIKey XHWBCCJCIQXGNG-FUMQJTLXSA-N
Mol Weight 464.6 g/mol
Molecular Formula C25H36O8
Exact Mass 464.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KYwEOLLs
Name Tetraethyl spiro[5.5]undeca-1,7-diene-3,9-diyldimalonate
Alternate Name(s) 2-[(3R,6S,9S)-9-(Bis-ethoxycarbonyl-methyl)-spiro[5.5]undeca-1,7-dien-3-yl]-malonic acid diethyl ester Diethyl 2-{9-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]spiro[5.5]undeca-1,7-dien-3-yl}malonate Spiro[5.5]Undeca-1,7-diene-3,9-diyl malonate
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Formula C25H36O8
InChI InChI=1S/C25H36O8/c1-5-30-21(26)19(22(27)31-6-2)17-9-13-25(14-10-17)15-11-18(12-16-25)20(23(28)32-7-3)24(29)33-8-4/h9,11,13,15,17-20H,5-8,10,12,14,16H2,1-4H3/t17-,18+,25-/m1/s1
InChIKey XHWBCCJCIQXGNG-FUMQJTLXSA-N
Molecular Weight 464.555 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)[C@]1(C=C[C@]2(CC1)C=C[C@@](C(C(=O)OCC)C(=O)OCC)(CC2)[H])[H]
SPLASH splash10-0gxt-4649100000-31a0ef1dfbce9914ba85
Source of Spectrum G-66-1528-5
Wiley ID 871828