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Phthalic acid, octadecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octadecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID LvHoIpfycqR
InChI InChI=1S/C34H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-37-32(35)30-24-21-22-25-31(30)33(36)38-28-29(2)27-34(3,4)5/h21-22,24-25,29H,6-20,23,26-28H2,1-5H3
InChIKey YCWOUWJQUNXFGN-UHFFFAOYSA-N
Mol Weight 530.8 g/mol
Molecular Formula C34H58O4
Exact Mass 530.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gd6PPux44xT
Name Phthalic acid, octadecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 530.433510344 u
Formula C34H58O4
InChI InChI=1S/C34H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-37-32(35)30-24-21-22-25-31(30)33(36)38-28-29(2)27-34(3,4)5/h21-22,24-25,29H,6-20,23,26-28H2,1-5H3
InChIKey YCWOUWJQUNXFGN-UHFFFAOYSA-N
Molecular Weight 530.834 g/mol
SMILES C(C1=CC=CC=C1C(OCC(C)CC(C)(C)C)=O)(OCCCCCCCCCCCCCCCCCC)=O