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Phthalic acid, dodecyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-propylphenyl ester
SpectraBase Compound ID 1G7j1ZvEgqg
InChI InChI=1S/C29H40O4/c1-3-5-6-7-8-9-10-11-12-17-23-32-28(30)25-20-14-15-21-26(25)29(31)33-27-22-16-13-19-24(27)18-4-2/h13-16,19-22H,3-12,17-18,23H2,1-2H3
InChIKey QNUVPCXQCRBRRP-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KutORJwO38d
Name Phthalic acid, dodecyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-3-5-6-7-8-9-10-11-12-17-23-32-28(30)25-20-14-15-21-26(25)29(31)33-27-22-16-13-19-24(27)18-4-2/h13-16,19-22H,3-12,17-18,23H2,1-2H3
InChIKey QNUVPCXQCRBRRP-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O