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Adipic acid, decyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, decyl 2-propylphenyl ester
SpectraBase Compound ID BGPzvbdGAzz
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-15-21-28-24(26)19-13-14-20-25(27)29-23-18-12-11-17-22(23)16-4-2/h11-12,17-18H,3-10,13-16,19-21H2,1-2H3
InChIKey PJOUYYBPDVXHIQ-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9boD9lryRt
Name Adipic acid, decyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-5-6-7-8-9-10-15-21-28-24(26)19-13-14-20-25(27)29-23-18-12-11-17-22(23)16-4-2/h11-12,17-18H,3-10,13-16,19-21H2,1-2H3
InChIKey PJOUYYBPDVXHIQ-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCCCCCCCCC)=O