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Phthalic acid, heptyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2-propylphenyl ester
SpectraBase Compound ID IlORiWeq0zL
InChI InChI=1S/C24H30O4/c1-3-5-6-7-12-18-27-23(25)20-15-9-10-16-21(20)24(26)28-22-17-11-8-14-19(22)13-4-2/h8-11,14-17H,3-7,12-13,18H2,1-2H3
InChIKey XONHERXOOCPMIV-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gINCoGIOYm
Name Phthalic acid, heptyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-5-6-7-12-18-27-23(25)20-15-9-10-16-21(20)24(26)28-22-17-11-8-14-19(22)13-4-2/h8-11,14-17H,3-7,12-13,18H2,1-2H3
InChIKey XONHERXOOCPMIV-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O