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9Z-Eicosenoic acid ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

9Z-Eicosenoic acid ethyl ester
SpectraBase Compound ID Ldv3cLORPba
InChI InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h13-14H,3-12,15-21H2,1-2H3/b14-13-
InChIKey HWNWITBWKRPGEA-YPKPFQOOSA-N
Mol Weight 338.6 g/mol
Molecular Formula C22H42O2
Exact Mass 338.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 509dByEfOQ9
Name 9Z-Eicosenoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.318480590 u
Formula C22H42O2
InChI InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h13-14H,3-12,15-21H2,1-2H3/b14-13-
InChIKey HWNWITBWKRPGEA-YPKPFQOOSA-N
Molecular Weight 338.576 g/mol
SMILES C(CCCCCCC\C=C/CCCCCCCCCC)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932631