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3-Methoxy-5-methyldodecanoic acid

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

3-Methoxy-5-methyldodecanoic acid
SpectraBase Compound ID 1ue0v2Eb1rv
InChI InChI=1S/C14H28O3/c1-4-5-6-7-8-9-12(2)10-13(17-3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKey IQBNMLYARGXLIY-UHFFFAOYSA-N
Mol Weight 244.37 g/mol
Molecular Formula C14H28O3
Exact Mass 244.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JXUzsb2ueG6
Name 3-Methoxy-5-methyldodecanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.203844759 u
Formula C14H28O3
InChI InChI=1S/C14H28O3/c1-4-5-6-7-8-9-12(2)10-13(17-3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKey IQBNMLYARGXLIY-UHFFFAOYSA-N
Molecular Weight 244.375 g/mol
SMILES C(C(=O)O)C(CC(CCCCCCC)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974873