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Phthalic acid, pentadecyl 2-propylpentyl ester

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Phthalic acid, pentadecyl 2-propylpentyl ester
SpectraBase Compound ID 5ccrjnxsR5s
InChI InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-34-30(32)28-23-18-19-24-29(28)31(33)35-26-27(21-5-2)22-6-3/h18-19,23-24,27H,4-17,20-22,25-26H2,1-3H3
InChIKey FIHABRPSIJJELF-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkDKcttCDvH
Name Phthalic acid, pentadecyl 2-propylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-25-34-30(32)28-23-18-19-24-29(28)31(33)35-26-27(21-5-2)22-6-3/h18-19,23-24,27H,4-17,20-22,25-26H2,1-3H3
InChIKey FIHABRPSIJJELF-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCCCCCCCCCCCC)=O