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Carbonic acid, methyl octadecyl ester

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

Carbonic acid, methyl octadecyl ester
SpectraBase Compound ID L0AhiLWGZ9n
InChI InChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20(21)22-2/h3-19H2,1-2H3
InChIKey LBMXKELTSCGBGE-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C20H40O3
Exact Mass 328.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9XB8LL2EyQA
Name Carbonic acid, methyl octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.297745145 u
Formula C20H40O3
InChI InChI=1S/C20H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20(21)22-2/h3-19H2,1-2H3
InChIKey LBMXKELTSCGBGE-UHFFFAOYSA-N
Molecular Weight 328.537 g/mol
SMILES COC(OCCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93166