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Phthalic acid, 2,4-dimethylpent-3-yl tridecyl ester
SpectraBase Compound ID Gntz0TN1zaf
InChI InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-27(29)24-19-16-17-20-25(24)28(30)32-26(22(2)3)23(4)5/h16-17,19-20,22-23,26H,6-15,18,21H2,1-5H3
InChIKey IOKYJDBUNKIZCM-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 HbFv2OkK3To
Name Phthalic acid, 2,4-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/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-27(29)24-19-16-17-20-25(24)28(30)32-26(22(2)3)23(4)5/h16-17,19-20,22-23,26H,6-15,18,21H2,1-5H3
InChIKey IOKYJDBUNKIZCM-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCC)C(OC(C(C)C)C(C)C)=O