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Decanoic acid,dodecyl ester

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

Decanoic acid,dodecyl ester
SpectraBase Compound ID 267wKjhae7X
InChI InChI=1S/C22H44O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22(23)20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
InChIKey MNOODXPYABBZMC-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G6H2pFmlizY
Name Decanoic acid, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22(23)20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
InChIKey MNOODXPYABBZMC-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CCCCCCCCC)(=O)OCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818107