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Phthalic acid, dodecyl 2-pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-pentyl ester
SpectraBase Compound ID 84ckllHI8B3
InChI InChI=1S/C25H40O4/c1-4-6-7-8-9-10-11-12-13-16-20-28-24(26)22-18-14-15-19-23(22)25(27)29-21(3)17-5-2/h14-15,18-19,21H,4-13,16-17,20H2,1-3H3
InChIKey QNZOVFSASZMPGS-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bbDbETqZFW
Name Phthalic acid, dodecyl 2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-6-7-8-9-10-11-12-13-16-20-28-24(26)22-18-14-15-19-23(22)25(27)29-21(3)17-5-2/h14-15,18-19,21H,4-13,16-17,20H2,1-3H3
InChIKey QNZOVFSASZMPGS-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(CCCCOC(C1=C(C=CC=C1)C(OC(C)CCC)=O)=O)CCCCCCC