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2-Ethyloctadecanoic acid

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

2-Ethyloctadecanoic acid
SpectraBase Compound ID AsEE6chr8k0
InChI InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
InChIKey OHIOERKSFVRABL-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID As33IX7dGk4
Name 2-Ethyloctadecanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
InChIKey OHIOERKSFVRABL-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(O)(=O)C(CCCCCCCCCCCCCCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910519