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Sebacic acid, 2-decyl pentyl ester

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

Sebacic acid, 2-decyl pentyl ester
SpectraBase Compound ID 8DvEC68m8zj
InChI InChI=1S/C25H48O4/c1-4-6-8-9-12-15-19-23(3)29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-7-5-2/h23H,4-22H2,1-3H3
InChIKey LSOYPBRGGJRRMK-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K7isdTg4oHn
Name Sebacic acid, 2-decyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.355260022 u
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-4-6-8-9-12-15-19-23(3)29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-7-5-2/h23H,4-22H2,1-3H3
InChIKey LSOYPBRGGJRRMK-UHFFFAOYSA-N
Molecular Weight 412.655 g/mol
SMILES C(CCCCCCCCC(OCCCCC)=O)(OC(C)CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929027