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Ethyl 4-(4-(2-(4-(ethoxycarbonyl)-2,5-dihydro-2,2-dimethyl-5-oxofuran-3yl)vinyl)styryl)-2,5-dihydro-5,5-dimethyl-2-oxofuran-3-carboxylate

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Ethyl 4-(4-(2-(4-(ethoxycarbonyl)-2,5-dihydro-2,2-dimethyl-5-oxofuran-3yl)vinyl)styryl)-2,5-dihydro-5,5-dimethyl-2-oxofuran-3-carboxylate
SpectraBase Compound ID 7qPqbRV4mFk
InChI InChI=1S/C28H30O8/c1-7-33-23(29)21-19(27(3,4)35-25(21)31)15-13-17-9-11-18(12-10-17)14-16-20-22(24(30)34-8-2)26(32)36-28(20,5)6/h9-16H,7-8H2,1-6H3/b15-13+,16-14+
InChIKey BDSMGPPTCZITHA-WXUKJITCSA-N
Mol Weight 494.54 g/mol
Molecular Formula C28H30O8
Exact Mass 494.194068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KQuIyMN7eG6
Name Ethyl 4-(4-(2-(4-(ethoxycarbonyl)-2,5-dihydro-2,2-dimethyl-5-oxofuran-3yl)vinyl)styryl)-2,5-dihydro-5,5-dimethyl-2-oxofuran-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.194067918 u
Formula C28H30O8
InChI InChI=1S/C28H30O8/c1-7-33-23(29)21-19(27(3,4)35-25(21)31)15-13-17-9-11-18(12-10-17)14-16-20-22(24(30)34-8-2)26(32)36-28(20,5)6/h9-16H,7-8H2,1-6H3/b15-13+,16-14+
InChIKey BDSMGPPTCZITHA-WXUKJITCSA-N
Molecular Weight 494.540 g/mol
SMILES C=1(C(OC(C1\C=C\C=1C=CC(\C=C\C2=C(C(=O)OC2(C)C)C(=O)OCC)=CC1)(C)C)=O)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923596