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Methyl (E)-6-methoxyoctadec-4-enoate

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

Methyl (E)-6-methoxyoctadec-4-enoate
SpectraBase Compound ID 97e6PvJzYPL
InChI InChI=1S/C20H38O3/c1-4-5-6-7-8-9-10-11-12-13-16-19(22-2)17-14-15-18-20(21)23-3/h14,17,19H,4-13,15-16,18H2,1-3H3/b17-14+
InChIKey LCDPKFKLMSDHNS-SAPNQHFASA-N
Mol Weight 326.5 g/mol
Molecular Formula C20H38O3
Exact Mass 326.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 12Ns5fdqFDF
Name Methyl (E)-6-methoxyoctadec-4-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.282095081 u
Formula C20H38O3
InChI InChI=1S/C20H38O3/c1-4-5-6-7-8-9-10-11-12-13-16-19(22-2)17-14-15-18-20(21)23-3/h14,17,19H,4-13,15-16,18H2,1-3H3/b17-14+
InChIKey LCDPKFKLMSDHNS-SAPNQHFASA-N
Molecular Weight 326.521 g/mol
SMILES C(CC\C=C\C(CCCCCCCCCCCC)OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904856