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Glutaric acid, pentadecyl phenethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, pentadecyl phenethyl ester
SpectraBase Compound ID AkYpXj5800N
InChI InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-31-27(29)21-18-22-28(30)32-25-23-26-19-15-14-16-20-26/h14-16,19-20H,2-13,17-18,21-25H2,1H3
InChIKey XZCBCVUPYFVSQY-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4emLGC3WQ5M
Name Glutaric acid, pentadecyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-31-27(29)21-18-22-28(30)32-25-23-26-19-15-14-16-20-26/h14-16,19-20H,2-13,17-18,21-25H2,1H3
InChIKey XZCBCVUPYFVSQY-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCCCCCCCCCCCCCCOC(CCCC(OCCC1=CC=CC=C1)=O)=O