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

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 1-tert-butoxyprop-2-yl hexyl ester
SpectraBase Compound ID IcZS24KGtsB
InChI InChI=1S/C21H32O5/c1-6-7-8-11-14-24-19(22)17-12-9-10-13-18(17)20(23)26-16(2)15-25-21(3,4)5/h9-10,12-13,16H,6-8,11,14-15H2,1-5H3
InChIKey VQGPUDJTYARHLI-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2S6X4fxMDq
Name Phthalic acid, 1-tert-butoxyprop-2-yl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-7-8-11-14-24-19(22)17-12-9-10-13-18(17)20(23)26-16(2)15-25-21(3,4)5/h9-10,12-13,16H,6-8,11,14-15H2,1-5H3
InChIKey VQGPUDJTYARHLI-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCC)=O)C(OC(C)COC(C)(C)C)=O