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Oxybis(1,1-hexanediyl) diacetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Oxybis(1,1-hexanediyl) diacetate
SpectraBase Compound ID 6U1l9brkm7N
InChI InChI=1S/C16H30O5/c1-3-5-7-9-13(11-15(17)18)21-14(12-16(19)20)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKey DRZFHHSFGSYRIC-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C16H30O5
Exact Mass 302.209324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4lNZi0IcSLc
Name Oxybis(1,1-hexanediyl) diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.209324061 u
Formula C16H30O5
InChI InChI=1S/C16H30O5/c1-3-5-7-9-13(11-15(17)18)21-14(12-16(19)20)10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKey DRZFHHSFGSYRIC-UHFFFAOYSA-N
SMILES C(OC(CCCCC)CC(=O)O)(CCCCC)CC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981357