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Phthalic acid, 2-methoxyethyl hexadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methoxyethyl hexadecyl ester
SpectraBase Compound ID 5OTSZmnazHS
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(28)24-19-16-17-20-25(24)27(29)32-23-22-30-2/h16-17,19-20H,3-15,18,21-23H2,1-2H3
InChIKey YTSXQGPTXCVNMC-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 VLb2RQ0P2t
Name Phthalic acid, 2-methoxyethyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(28)24-19-16-17-20-25(24)27(29)32-23-22-30-2/h16-17,19-20H,3-15,18,21-23H2,1-2H3
InChIKey YTSXQGPTXCVNMC-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(CCCCCCCCOC(C1=C(C=CC=C1)C(=O)OCCOC)=O)CCCCCCC