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Sebacic acid, oct-3-yl pentyl ester

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

Sebacic acid, oct-3-yl pentyl ester
SpectraBase Compound ID EUUxewQRSOv
InChI InChI=1S/C23H44O4/c1-4-7-13-17-21(6-3)27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-8-5-2/h21H,4-20H2,1-3H3
InChIKey MCZCOMDPBOAFMK-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AIWJsDLANvZ
Name Sebacic acid, oct-3-yl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.323959893 u
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-4-7-13-17-21(6-3)27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-8-5-2/h21H,4-20H2,1-3H3
InChIKey MCZCOMDPBOAFMK-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES C(CCCCCCCC(OC(CCCCC)CC)=O)C(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968652