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Phthalic acid, 2,2-dimethylpent-3-yl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dimethylpent-3-yl tridecyl ester
SpectraBase Compound ID 3kBT5uZJKSX
InChI InChI=1S/C28H46O4/c1-6-8-9-10-11-12-13-14-15-16-19-22-31-26(29)23-20-17-18-21-24(23)27(30)32-25(7-2)28(3,4)5/h17-18,20-21,25H,6-16,19,22H2,1-5H3
InChIKey URMKTKZPTSXJHG-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRXBSNCxj4u
Name Phthalic acid, 2,2-dimethylpent-3-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-6-8-9-10-11-12-13-14-15-16-19-22-31-26(29)23-20-17-18-21-24(23)27(30)32-25(7-2)28(3,4)5/h17-18,20-21,25H,6-16,19,22H2,1-5H3
InChIKey URMKTKZPTSXJHG-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCC)=O)C(OC(CC)C(C)(C)C)=O