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11-Phenoxyundecanoic acid

View entire compound with spectra: 1 NMR

11-Phenoxyundecanoic acid
SpectraBase Compound ID 8n9xlZyhIjP
InChI InChI=1S/C29H50O3/c30-29(31)26-22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-27-32-28-24-20-19-21-25-28/h19-21,24-25H,1-18,22-23,26-27H2,(H,30,31)
InChIKey AITPFOOEIZSDGF-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVIiAy9rzJV
Name 11-Phenoxyundecanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.375995467 u
Formula C29H50O3
InChI InChI=1S/C29H50O3/c30-29(31)26-22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-27-32-28-24-20-19-21-25-28/h19-21,24-25H,1-18,22-23,26-27H2,(H,30,31)
InChIKey AITPFOOEIZSDGF-UHFFFAOYSA-N
Molecular Weight 446.716 g/mol
Nominal Mass 446 u
SMILES C=1C(=CC=CC1)OCCCCCCCCCCCCCCCCCCCCCCC(O)=O