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Phthalic acid, dodecyl hept-2-yl ester

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

Phthalic acid, dodecyl hept-2-yl ester
SpectraBase Compound ID 9iZub7iDXDz
InChI InChI=1S/C27H44O4/c1-4-6-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-17-21-25(24)27(29)31-23(3)19-15-7-5-2/h16-17,20-21,23H,4-15,18-19,22H2,1-3H3
InChIKey IUKREYMIVSMIEF-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWh0JEpCxsb
Name Phthalic acid, dodecyl hept-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-6-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-17-21-25(24)27(29)31-23(3)19-15-7-5-2/h16-17,20-21,23H,4-15,18-19,22H2,1-3H3
InChIKey IUKREYMIVSMIEF-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCCCCCCCCCC)=O