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Phthalic acid, hexyl 2-(2-methoxyethyl)hexyl ester

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

Phthalic acid, hexyl 2-(2-methoxyethyl)hexyl ester
SpectraBase Compound ID 8SJ9As7iyHA
InChI InChI=1S/C23H36O5/c1-4-6-8-11-16-27-22(24)20-13-9-10-14-21(20)23(25)28-18-19(12-7-5-2)15-17-26-3/h9-10,13-14,19H,4-8,11-12,15-18H2,1-3H3
InChIKey UBGVQZBEVFMWFH-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 ArSJSTDN1vt
Name Phthalic acid, hexyl 2-(2-methoxyethyl)hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-4-6-8-11-16-27-22(24)20-13-9-10-14-21(20)23(25)28-18-19(12-7-5-2)15-17-26-3/h9-10,13-14,19H,4-8,11-12,15-18H2,1-3H3
InChIKey UBGVQZBEVFMWFH-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCCC)=O)(CCCC)CCOC