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

View entire compound with spectra: 1 NMR

Phthalic acid, tetradecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID 1A93t5i3JQr
InChI InChI=1S/C30H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-33-28(31)26-20-17-18-21-27(26)29(32)34-24-25(2)23-30(3,4)5/h17-18,20-21,25H,6-16,19,22-24H2,1-5H3
InChIKey ZBDCGJHQAMMZQX-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KThTsEZvtI
Name Phthalic acid, tetradecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-33-28(31)26-20-17-18-21-27(26)29(32)34-24-25(2)23-30(3,4)5/h17-18,20-21,25H,6-16,19,22-24H2,1-5H3
InChIKey ZBDCGJHQAMMZQX-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(C1=CC=CC=C1C(OCC(C)CC(C)(C)C)=O)(OCCCCCCCCCCCCCC)=O