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Propanedioic acid, (1,4-dimethyl-2,3-pentadienyl)-, dimethyl ester

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Propanedioic acid, (1,4-dimethyl-2,3-pentadienyl)-, dimethyl ester
SpectraBase Compound ID 4OABIb0SxGa
InChI InChI=1S/C12H18O4/c1-8(2)6-7-9(3)10(11(13)15-4)12(14)16-5/h7,9-10H,1-5H3
InChIKey NIPDTJRNUIBITG-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ISpyjOnEfwa
Name Propanedioic acid, (1,4-dimethyl-2,3-pentadienyl)-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8(2)6-7-9(3)10(11(13)15-4)12(14)16-5/h7,9-10H,1-5H3
InChIKey NIPDTJRNUIBITG-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C(C=C=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90883