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Adipic acid, pentadecyl 2-propylphenyl ester
SpectraBase Compound ID Fvka2PjvKEJ
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-26-33-29(31)24-18-19-25-30(32)34-28-23-17-16-22-27(28)21-4-2/h16-17,22-23H,3-15,18-21,24-26H2,1-2H3
InChIKey YMFLFGCIFBZBJQ-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14o2CHNlK3t
Name Adipic acid, pentadecyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-26-33-29(31)24-18-19-25-30(32)34-28-23-17-16-22-27(28)21-4-2/h16-17,22-23H,3-15,18-21,24-26H2,1-2H3
InChIKey YMFLFGCIFBZBJQ-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCCCCCCCCCCCCCC)=O