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Adipic acid, 2-ethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-ethylphenyl tetradecyl ester
SpectraBase Compound ID LOPAb9YyfXL
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-19-24-31-27(29)22-17-18-23-28(30)32-26-21-16-15-20-25(26)4-2/h15-16,20-21H,3-14,17-19,22-24H2,1-2H3
InChIKey VMCJZKZDLRRCGU-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 Lnm1fwuX4bi
Name Adipic acid, 2-ethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-19-24-31-27(29)22-17-18-23-28(30)32-26-21-16-15-20-25(26)4-2/h15-16,20-21H,3-14,17-19,22-24H2,1-2H3
InChIKey VMCJZKZDLRRCGU-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCC(OC=1C(CC)=CC=CC1)=O)CC(OCCCCCCCCCCCCCC)=O