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Isophthalic acid, 2-propylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-propylphenyl tridecyl ester
SpectraBase Compound ID 1mHVE3AL1aw
InChI InChI=1S/C30H42O4/c1-3-5-6-7-8-9-10-11-12-13-16-23-33-29(31)26-20-17-21-27(24-26)30(32)34-28-22-15-14-19-25(28)18-4-2/h14-15,17,19-22,24H,3-13,16,18,23H2,1-2H3
InChIKey XAEZBVGHKBDCLK-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtOIgvEIa78
Name Isophthalic acid, 2-propylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.308309828 u
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-3-5-6-7-8-9-10-11-12-13-16-23-33-29(31)26-20-17-21-27(24-26)30(32)34-28-22-15-14-19-25(28)18-4-2/h14-15,17,19-22,24H,3-13,16,18,23H2,1-2H3
InChIKey XAEZBVGHKBDCLK-UHFFFAOYSA-N
Molecular Weight 466.662 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCCCCC)C(OC=1C(CCC)=CC=CC1)=O