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Phthalic acid, isohexyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl tetradecyl ester
SpectraBase Compound ID 1xhaj4stAVJ
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-31-27(29)25-20-15-16-21-26(25)28(30)32-23-18-19-24(2)3/h15-16,20-21,24H,4-14,17-19,22-23H2,1-3H3
InChIKey IHPUCCDZBSHYMH-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 GdtcPaZ7qcA
Name Phthalic acid, isohexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-31-27(29)25-20-15-16-21-26(25)28(30)32-23-18-19-24(2)3/h15-16,20-21,24H,4-14,17-19,22-23H2,1-3H3
InChIKey IHPUCCDZBSHYMH-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCC(C)C)C(=O)OCCCCCCCCCCCCCC