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Dicapryl adipate

View entire compound with spectra: 1 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

Dicapryl adipate
SpectraBase Compound ID IqLQGe6ckuO
InChI InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey HCQHIEGYGGJLJU-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DktWsJSHiUq
Name Dicapryl adipate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey HCQHIEGYGGJLJU-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES CCCCCCCCCCOC(CCCCC(OCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.992268