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Phthalic acid, 1-tert-butoxyprop-2-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl tetradecyl ester
SpectraBase Compound ID cfoGyLw6YI
InChI InChI=1S/C29H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27(30)25-20-17-18-21-26(25)28(31)34-24(2)23-33-29(3,4)5/h17-18,20-21,24H,6-16,19,22-23H2,1-5H3
InChIKey GSXPQCZTFCCVGZ-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C29H48O5
Exact Mass 476.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJjhh6gbRtz
Name Phthalic acid, 1-tert-butoxyprop-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.350174641 u
Formula C29H48O5
InChI InChI=1S/C29H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27(30)25-20-17-18-21-26(25)28(31)34-24(2)23-33-29(3,4)5/h17-18,20-21,24H,6-16,19,22-23H2,1-5H3
InChIKey GSXPQCZTFCCVGZ-UHFFFAOYSA-N
Molecular Weight 476.698 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O