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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl tridecyl ester
SpectraBase Compound ID 7UeWdm0YLHX
InChI InChI=1S/C28H46O5/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-26(29)24-19-16-17-20-25(24)27(30)33-23(2)22-32-28(3,4)5/h16-17,19-20,23H,6-15,18,21-22H2,1-5H3
InChIKey RQKUXOXGWLAKMI-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1D2kHeYrJCu
Name Phthalic acid, 1-tert-butoxyprop-2-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-26(29)24-19-16-17-20-25(24)27(30)33-23(2)22-32-28(3,4)5/h16-17,19-20,23H,6-15,18,21-22H2,1-5H3
InChIKey RQKUXOXGWLAKMI-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O