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Phthalic acid, tetrahydrofurfuryl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, tetrahydrofurfuryl nonyl ester
SpectraBase Compound ID 4PdW41Bx9Ui
InChI InChI=1S/C22H32O5/c1-2-3-4-5-6-7-10-15-26-21(23)19-13-8-9-14-20(19)22(24)27-17-18-12-11-16-25-18/h8-9,13-14,18H,2-7,10-12,15-17H2,1H3
InChIKey CCHOUIJMIOAUQN-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4h1vlL29gNB
Name Phthalic acid, tetrahydrofurfuryl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.224974125 u
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-2-3-4-5-6-7-10-15-26-21(23)19-13-8-9-14-20(19)22(24)27-17-18-12-11-16-25-18/h8-9,13-14,18H,2-7,10-12,15-17H2,1H3
InChIKey CCHOUIJMIOAUQN-UHFFFAOYSA-N
Molecular Weight 376.493 g/mol
SMILES CCCCCCCCCOC(C=1C(C(=O)OCC2CCCO2)=CC=CC1)=O