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Dimethyl 2-(3-cyclohexylidene)-3-ethoxycarbonylbutanedioate

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

Dimethyl 2-(3-cyclohexylidene)-3-ethoxycarbonylbutanedioate
SpectraBase Compound ID 8Rtjx3uOGor
InChI InChI=1S/C15H22O6/c1-4-21-15(18)12(14(17)20-3)11(13(16)19-2)10-8-6-5-7-9-10/h12H,4-9H2,1-3H3
InChIKey SOGRMTALUJPXGM-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C15H22O6
Exact Mass 298.141638 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4fpqFRwnkVB
Name Dimethyl 2-(3-cyclohexylidene)-3-ethoxycarbonylbutanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.141638422 u
Formula C15H22O6
InChI InChI=1S/C15H22O6/c1-4-21-15(18)12(14(17)20-3)11(13(16)19-2)10-8-6-5-7-9-10/h12H,4-9H2,1-3H3
InChIKey SOGRMTALUJPXGM-UHFFFAOYSA-N
Molecular Weight 298.335 g/mol
SMILES C(C(C(=O)OC)=C1CCCCC1)(C(=O)OC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91484