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Ethyl E-11-octadecenoate

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

Ethyl E-11-octadecenoate
SpectraBase Compound ID K4a3YR6Th79
InChI InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9+
InChIKey XZMSLYSQJNCDQH-MDZDMXLPSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A8ZTRmDh68R
Name Ethyl E-11-octadecenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9+
InChIKey XZMSLYSQJNCDQH-MDZDMXLPSA-N
Molecular Weight 310.522 g/mol
SMILES CCCCCC\C=C\CCCCCCCCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868325