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Phthalic acid, dodecyl 3-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 3-methoxybenzyl ester
SpectraBase Compound ID CK8ngSSvUJc
InChI InChI=1S/C28H38O5/c1-3-4-5-6-7-8-9-10-11-14-20-32-27(29)25-18-12-13-19-26(25)28(30)33-22-23-16-15-17-24(21-23)31-2/h12-13,15-19,21H,3-11,14,20,22H2,1-2H3
InChIKey UBDLVSVMUXWUDY-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E43aiPYf8ia
Name Phthalic acid, dodecyl 3-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-3-4-5-6-7-8-9-10-11-14-20-32-27(29)25-18-12-13-19-26(25)28(30)33-22-23-16-15-17-24(21-23)31-2/h12-13,15-19,21H,3-11,14,20,22H2,1-2H3
InChIKey UBDLVSVMUXWUDY-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCCCCC)=O