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Phthalic acid, hexyl 3-(2-methoxyethyl)octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 3-(2-methoxyethyl)octyl ester
SpectraBase Compound ID 4vhOdBmsevz
InChI InChI=1S/C25H40O5/c1-4-6-8-12-18-29-24(26)22-14-10-11-15-23(22)25(27)30-20-17-21(16-19-28-3)13-9-7-5-2/h10-11,14-15,21H,4-9,12-13,16-20H2,1-3H3
InChIKey QDJFQXJUMVOAIQ-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPB29itUtth
Name Phthalic acid, hexyl 3-(2-methoxyethyl)octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-4-6-8-12-18-29-24(26)22-14-10-11-15-23(22)25(27)30-20-17-21(16-19-28-3)13-9-7-5-2/h10-11,14-15,21H,4-9,12-13,16-20H2,1-3H3
InChIKey QDJFQXJUMVOAIQ-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C1(=C(C=CC=C1)C(OCCC(CCCCC)CCOC)=O)C(OCCCCCC)=O