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Sebacic acid, di(2-decyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, di(2-decyl) ester
SpectraBase Compound ID 6dMlK54XaGk
InChI InChI=1S/C30H58O4/c1-5-7-9-11-15-19-23-27(3)33-29(31)25-21-17-13-14-18-22-26-30(32)34-28(4)24-20-16-12-10-8-6-2/h27-28H,5-26H2,1-4H3
InChIKey PNYAXUCYPDSBJE-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AedXwNZS6C4
Name Sebacic acid, di(2-decyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-5-7-9-11-15-19-23-27(3)33-29(31)25-21-17-13-14-18-22-26-30(32)34-28(4)24-20-16-12-10-8-6-2/h27-28H,5-26H2,1-4H3
InChIKey PNYAXUCYPDSBJE-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(CCCCCCCCC(OC(C)CCCCCCCC)=O)(OC(C)CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967195