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Phthalic acid, dodecyl tetrahydrofurfuryl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl tetrahydrofurfuryl ester
SpectraBase Compound ID BoFEg32kIXT
InChI InChI=1S/C25H38O5/c1-2-3-4-5-6-7-8-9-10-13-18-29-24(26)22-16-11-12-17-23(22)25(27)30-20-21-15-14-19-28-21/h11-12,16-17,21H,2-10,13-15,18-20H2,1H3
InChIKey TYNCHBIBGDUYSY-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BF1xN4wajeP
Name Phthalic acid, dodecyl tetrahydrofurfuryl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-2-3-4-5-6-7-8-9-10-13-18-29-24(26)22-16-11-12-17-23(22)25(27)30-20-21-15-14-19-28-21/h11-12,16-17,21H,2-10,13-15,18-20H2,1H3
InChIKey TYNCHBIBGDUYSY-UHFFFAOYSA-N
Molecular Weight 418.574 g/mol
SMILES C1COC(C1)COC(C1=CC=CC=C1C(=O)OCCCCCCCCCCCC)=O