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Phthalic acid, decyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2-propylphenyl ester
SpectraBase Compound ID 3fGUfG2IJHK
InChI InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-15-21-30-26(28)23-18-12-13-19-24(23)27(29)31-25-20-14-11-17-22(25)16-4-2/h11-14,17-20H,3-10,15-16,21H2,1-2H3
InChIKey RXKUUEJNPQUJGH-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75lwqihNN6R
Name Phthalic acid, decyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-15-21-30-26(28)23-18-12-13-19-24(23)27(29)31-25-20-14-11-17-22(25)16-4-2/h11-14,17-20H,3-10,15-16,21H2,1-2H3
InChIKey RXKUUEJNPQUJGH-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O