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Phthalic acid, 5-methoxy-3-methylpentyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 5-methoxy-3-methylpentyl nonyl ester
SpectraBase Compound ID BNUBayXcxao
InChI InChI=1S/C24H38O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h10-11,13-14,20H,4-9,12,15-19H2,1-3H3
InChIKey CBNOOIGQPLRPML-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMWYGcMdvHG
Name Phthalic acid, 5-methoxy-3-methylpentyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h10-11,13-14,20H,4-9,12,15-19H2,1-3H3
InChIKey CBNOOIGQPLRPML-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCCCCCC)=O)C(CCOC)C