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Phthalic acid, decyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl nonyl ester
SpectraBase Compound ID 8C9MDr4QfAK
InChI InChI=1S/C27H44O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-12-10-8-6-4-2/h16-17,20-21H,3-15,18-19,22-23H2,1-2H3
InChIKey NSZKIDSVINDASL-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 CT5he9Dh8wl
Name Phthalic acid, decyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-12-10-8-6-4-2/h16-17,20-21H,3-15,18-19,22-23H2,1-2H3
InChIKey NSZKIDSVINDASL-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCC