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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl hexadecyl ester
SpectraBase Compound ID GtFD1KGJjxc
InChI InChI=1S/C31H52O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-29(32)27-22-19-20-23-28(27)30(33)36-26(2)25-35-31(3,4)5/h19-20,22-23,26H,6-18,21,24-25H2,1-5H3
InChIKey JSPLPDLVHZLBRJ-UHFFFAOYSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnE5KEQAB75
Name Phthalic acid, 1-tert-butoxyprop-2-yl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 504.381474769 u
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-29(32)27-22-19-20-23-28(27)30(33)36-26(2)25-35-31(3,4)5/h19-20,22-23,26H,6-18,21,24-25H2,1-5H3
InChIKey JSPLPDLVHZLBRJ-UHFFFAOYSA-N
Molecular Weight 504.752 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O