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Phthalic acid, 3,5-dimethylphenyl pentyl ester

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Phthalic acid, 3,5-dimethylphenyl pentyl ester
SpectraBase Compound ID EtIaAXBk0Kf
InChI InChI=1S/C21H24O4/c1-4-5-8-11-24-20(22)18-9-6-7-10-19(18)21(23)25-17-13-15(2)12-16(3)14-17/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3
InChIKey DKTWKGCTKNEXQE-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C21H24O4
Exact Mass 340.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6swgRL4VX38
Name Phthalic acid, 3,5-dimethylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.167459249 u
Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-4-5-8-11-24-20(22)18-9-6-7-10-19(18)21(23)25-17-13-15(2)12-16(3)14-17/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3
InChIKey DKTWKGCTKNEXQE-UHFFFAOYSA-N
Molecular Weight 340.419 g/mol
SMILES C1=C(C=C(C=C1C)C)OC(C1=C(C(OCCCCC)=O)C=CC=C1)=O