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Phthalic acid, dodecyl 2-phenoxyethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-phenoxyethyl ester
SpectraBase Compound ID 9Pw4MeuzXlB
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-8-9-10-16-21-32-27(29)25-19-14-15-20-26(25)28(30)33-23-22-31-24-17-12-11-13-18-24/h11-15,17-20H,2-10,16,21-23H2,1H3
InChIKey HPVFICPCJVLWAE-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 4LSKH4yZQOP
Name Phthalic acid, dodecyl 2-phenoxyethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-2-3-4-5-6-7-8-9-10-16-21-32-27(29)25-19-14-15-20-26(25)28(30)33-23-22-31-24-17-12-11-13-18-24/h11-15,17-20H,2-10,16,21-23H2,1H3
InChIKey HPVFICPCJVLWAE-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCCOC1=CC=CC=C1)(OCCCCCCCCCCCC)=O