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

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

Phthalic acid, decyl 2-(2-methoxyethyl)hexyl ester
SpectraBase Compound ID ki5BMspTI9
InChI InChI=1S/C27H44O5/c1-4-6-8-9-10-11-12-15-20-31-26(28)24-17-13-14-18-25(24)27(29)32-22-23(16-7-5-2)19-21-30-3/h13-14,17-18,23H,4-12,15-16,19-22H2,1-3H3
InChIKey SSAZYLITKVLIEE-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7y8zXdb6BGm
Name Phthalic acid, decyl 2-(2-methoxyethyl)hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-4-6-8-9-10-11-12-15-20-31-26(28)24-17-13-14-18-25(24)27(29)32-22-23(16-7-5-2)19-21-30-3/h13-14,17-18,23H,4-12,15-16,19-22H2,1-3H3
InChIKey SSAZYLITKVLIEE-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCCCCCCC)=O)(CCCC)CCOC