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Phthalic acid, 3-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylphenyl tridecyl ester
SpectraBase Compound ID P7zr2D4Esy
InChI InChI=1S/C28H38O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-24-18-16-17-23(2)22-24/h13-14,16-20,22H,3-12,15,21H2,1-2H3
InChIKey DELRDTCNYGDPMS-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80a8SDVnX7m
Name Phthalic acid, 3-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-24-18-16-17-23(2)22-24/h13-14,16-20,22H,3-12,15,21H2,1-2H3
InChIKey DELRDTCNYGDPMS-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES CCCCCCCCCCCCCOC(C1=C(C(OC2=CC=CC(=C2)C)=O)C=CC=C1)=O