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Phthalic acid, decyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3-methylphenyl ester
SpectraBase Compound ID 2jxJGAYkxvx
InChI InChI=1S/C25H32O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-21-15-13-14-20(2)19-21/h10-11,13-17,19H,3-9,12,18H2,1-2H3
InChIKey LERYEWRGWWVODK-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXLE5feSy4F
Name Phthalic acid, decyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-21-15-13-14-20(2)19-21/h10-11,13-17,19H,3-9,12,18H2,1-2H3
InChIKey LERYEWRGWWVODK-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(OC1=CC=CC(=C1)C)(=O)C1=C(C=CC=C1)C(OCCCCCCCCCC)=O