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Phthalic acid, furfuryl propyl ester
SpectraBase Compound ID 88QRmq2ZTz1
InChI InChI=1S/C16H20O5/c1-2-9-20-15(17)13-7-3-4-8-14(13)16(18)21-11-12-6-5-10-19-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKey GOUIOMASVCRJTE-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QTDoiYHutn
Name Phthalic acid, furfuryl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 292.131073739 u
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-2-9-20-15(17)13-7-3-4-8-14(13)16(18)21-11-12-6-5-10-19-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKey GOUIOMASVCRJTE-UHFFFAOYSA-N
SMILES CCCOC(C=1C(C(=O)OCC2CCCO2)=CC=CC1)=O