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Hexanedioic acid, 5-ethylidene-3-methyl-2-methylene-, dimethyl ester, (E)-(.+-.)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Hexanedioic acid, 5-ethylidene-3-methyl-2-methylene-, dimethyl ester, (E)-(.+-.)-
SpectraBase Compound ID JaDBbVileNm
InChI InChI=1S/C12H18O4/c1-6-10(12(14)16-5)7-8(2)9(3)11(13)15-4/h6,8H,3,7H2,1-2,4-5H3/b10-6+
InChIKey RGBFYRJVTIUCLO-UXBLZVDNSA-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 825fV5uEeX4
Name Hexanedioic acid, 5-ethylidene-3-methyl-2-methylene-, dimethyl ester, (E)-(.+-.)-
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/c1-6-10(12(14)16-5)7-8(2)9(3)11(13)15-4/h6,8H,3,7H2,1-2,4-5H3/b10-6+
InChIKey RGBFYRJVTIUCLO-UXBLZVDNSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(=O)OC)(C(C\C(C(=O)OC)=C/C)C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878608