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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl octyl ester
SpectraBase Compound ID 2xX066H8F6q
InChI InChI=1S/C23H36O5/c1-6-7-8-9-10-13-16-26-21(24)19-14-11-12-15-20(19)22(25)28-18(2)17-27-23(3,4)5/h11-12,14-15,18H,6-10,13,16-17H2,1-5H3
InChIKey OSILLZDYHGXUHE-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsZCInOWgx3
Name Phthalic acid, 1-tert-butoxyprop-2-yl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-6-7-8-9-10-13-16-26-21(24)19-14-11-12-15-20(19)22(25)28-18(2)17-27-23(3,4)5/h11-12,14-15,18H,6-10,13,16-17H2,1-5H3
InChIKey OSILLZDYHGXUHE-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O