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Pentanedioic acid, 3-ethyl-3-methyl-, bis(1-methylpropyl) ester

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

Pentanedioic acid, 3-ethyl-3-methyl-, bis(1-methylpropyl) ester
SpectraBase Compound ID DxDTy9w4TTS
InChI InChI=1S/C16H30O4/c1-7-12(4)19-14(17)10-16(6,9-3)11-15(18)20-13(5)8-2/h12-13H,7-11H2,1-6H3
InChIKey NQBKJWNKHYLRNO-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HRkPjksjhlK
Name Pentanedioic acid, 3-ethyl-3-methyl-, bis(1-methylpropyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.214409442 u
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-7-12(4)19-14(17)10-16(6,9-3)11-15(18)20-13(5)8-2/h12-13H,7-11H2,1-6H3
InChIKey NQBKJWNKHYLRNO-UHFFFAOYSA-N
SMILES C(C(CC(OC(CC)C)=O)(CC)C)C(OC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982407