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Undecanoic acid, decyl ester

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

Undecanoic acid, decyl ester
SpectraBase Compound ID CECPGf6Sdux
InChI InChI=1S/C21H42O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey AEICATZSRFMQDL-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KVmRvIzekCG
Name Undecanoic acid, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.318480590 u
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey AEICATZSRFMQDL-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES C(C(=O)OCCCCCCCCCC)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813898