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Adipic acid, decyl 2-phenylethyl ester
SpectraBase Compound ID Lo5Qe9qddZR
InChI InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-14-20-27-23(25)17-12-13-18-24(26)28-21-19-22-15-10-9-11-16-22/h9-11,15-16H,2-8,12-14,17-21H2,1H3
InChIKey ZIFMVNZSRYYHON-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WnzxHoSo4l
Name Adipic acid, decyl 2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-14-20-27-23(25)17-12-13-18-24(26)28-21-19-22-15-10-9-11-16-22/h9-11,15-16H,2-8,12-14,17-21H2,1H3
InChIKey ZIFMVNZSRYYHON-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(=O)(CCCCC(OCCCCCCCCCC)=O)OCCC1=CC=CC=C1