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Diethyl 2-(tricyclo[3.3.0.0(3,7)]octan-2'-ylidene)propanedioate
SpectraBase Compound ID 84QNfHVuadj
InChI InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)12-10-6-8-5-9(10)7-11(8)12/h8-11H,3-7H2,1-2H3/t8-,9?,10?,11-/m0/s1
InChIKey GBWJHEJSMFVBBP-PMUOWJKOSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KlvND6Zh4YN
Name Diethyl 2-(tricyclo[3.3.0.0(3,7)]octan-2'-ylidene)propanedioate
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)12-10-6-8-5-9(10)7-11(8)12/h8-11H,3-7H2,1-2H3/t8-,9?,10?,11-/m0/s1
InChIKey GBWJHEJSMFVBBP-PMUOWJKOSA-N
Molecular Weight 264.321 g/mol
SMILES C1(=C(C(=O)OCC)C(=O)OCC)C2C3C[C@]1([C@@](C3)(C2)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840859