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Adipic acid, 2-propylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-propylphenyl tridecyl ester
SpectraBase Compound ID 8mPq1YuVXLF
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-18-24-31-27(29)22-16-17-23-28(30)32-26-21-15-14-20-25(26)19-4-2/h14-15,20-21H,3-13,16-19,22-24H2,1-2H3
InChIKey ZVXXYQCSUDBZBJ-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 GceyGtcacLB
Name Adipic acid, 2-propylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-18-24-31-27(29)22-16-17-23-28(30)32-26-21-15-14-20-25(26)19-4-2/h14-15,20-21H,3-13,16-19,22-24H2,1-2H3
InChIKey ZVXXYQCSUDBZBJ-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCCCCCCCCCCCC)=O