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Terephthalic acid, hexyl 2-phenoxyethyl ester

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Terephthalic acid, hexyl 2-phenoxyethyl ester
SpectraBase Compound ID A9e6jal25N6
InChI InChI=1S/C22H26O5/c1-2-3-4-8-15-26-21(23)18-11-13-19(14-12-18)22(24)27-17-16-25-20-9-6-5-7-10-20/h5-7,9-14H,2-4,8,15-17H2,1H3
InChIKey FFIFSYUMKUTQDM-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeF7AuXVXoT
Name Terephthalic acid, hexyl 2-phenoxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-2-3-4-8-15-26-21(23)18-11-13-19(14-12-18)22(24)27-17-16-25-20-9-6-5-7-10-20/h5-7,9-14H,2-4,8,15-17H2,1H3
InChIKey FFIFSYUMKUTQDM-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCC)=O)C(=O)OCCOC1=CC=CC=C1