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Methoxyacetic acid, 4-hexadecyl ester

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

Methoxyacetic acid, 4-hexadecyl ester
SpectraBase Compound ID DNrkuzsSClx
InChI InChI=1S/C19H38O3/c1-4-6-7-8-9-10-11-12-13-14-16-18(15-5-2)22-19(20)17-21-3/h18H,4-17H2,1-3H3
InChIKey AEABBXYLJMUSKE-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C19H38O3
Exact Mass 314.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K9lvEB91WDi
Name Methoxyacetic acid, 4-hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.282095081 u
Formula C19H38O3
InChI InChI=1S/C19H38O3/c1-4-6-7-8-9-10-11-12-13-14-16-18(15-5-2)22-19(20)17-21-3/h18H,4-17H2,1-3H3
InChIKey AEABBXYLJMUSKE-UHFFFAOYSA-N
Molecular Weight 314.510 g/mol
SMILES C(CCCCCCCC)CCCC(CCC)OC(=O)COC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908464