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Ethyl 3-(ethoxycarbonyl)-6,6-dimethylheptanoate

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

Ethyl 3-(ethoxycarbonyl)-6,6-dimethylheptanoate
SpectraBase Compound ID Fx4XgucfNv2
InChI InChI=1S/C14H26O4/c1-6-17-12(15)10-11(13(16)18-7-2)8-9-14(3,4)5/h11H,6-10H2,1-5H3
InChIKey KGESEEXUFZITIE-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WSbihbXHBp
Name Ethyl 3-(ethoxycarbonyl)-6,6-dimethylheptanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.183109313 u
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-6-17-12(15)10-11(13(16)18-7-2)8-9-14(3,4)5/h11H,6-10H2,1-5H3
InChIKey KGESEEXUFZITIE-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(CC(CCC(C)(C)C)C(=O)OCC)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981461