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Phenethyl octacosanoate

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

Phenethyl octacosanoate
SpectraBase Compound ID ISEGFszPCvq
InChI InChI=1S/C36H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-36(37)38-34-33-35-30-27-26-28-31-35/h26-28,30-31H,2-25,29,32-34H2,1H3
InChIKey MITXCMLNWMHDHB-UHFFFAOYSA-N
Mol Weight 528.9 g/mol
Molecular Formula C36H64O2
Exact Mass 528.490631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33z1qgCKTKB
Name Phenethyl octacosanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.490631299 u
Formula C36H64O2
InChI InChI=1S/C36H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-36(37)38-34-33-35-30-27-26-28-31-35/h26-28,30-31H,2-25,29,32-34H2,1H3
InChIKey MITXCMLNWMHDHB-UHFFFAOYSA-N
Molecular Weight 528.906 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)OCCC=1C=CC=CC1