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Phthalic acid, 3,5-dimethylphenyl 2-propyl ester
SpectraBase Compound ID CITpVyiOBAQ
InChI InChI=1S/C19H20O4/c1-12(2)22-18(20)16-7-5-6-8-17(16)19(21)23-15-10-13(3)9-14(4)11-15/h5-12H,1-4H3
InChIKey SZERBJUMJZIRRC-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fKaSxqAXo5
Name Phthalic acid, 3,5-dimethylphenyl 2-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-12(2)22-18(20)16-7-5-6-8-17(16)19(21)23-15-10-13(3)9-14(4)11-15/h5-12H,1-4H3
InChIKey SZERBJUMJZIRRC-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C1(=C(C=CC=C1)C(OC(C)C)=O)C(OC1=CC(C)=CC(C)=C1)=O