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Phthalic acid, monoamide, N,N-dioctyl, butyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, monoamide, N,N-dioctyl, butyl ester
SpectraBase Compound ID JNckqHCjKpr
InChI InChI=1S/C28H47NO3/c1-4-7-10-12-14-18-22-29(23-19-15-13-11-8-5-2)27(30)25-20-16-17-21-26(25)28(31)32-24-9-6-3/h16-17,20-21H,4-15,18-19,22-24H2,1-3H3
InChIKey CFWORCIWYFVVQR-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C28H47NO3
Exact Mass 445.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ia7FGeORla7
Name Phthalic acid, monoamide, N,N-dioctyl, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 445.355594374 u
Formula C28H47NO3
InChI InChI=1S/C28H47NO3/c1-4-7-10-12-14-18-22-29(23-19-15-13-11-8-5-2)27(30)25-20-16-17-21-26(25)28(31)32-24-9-6-3/h16-17,20-21H,4-15,18-19,22-24H2,1-3H3
InChIKey CFWORCIWYFVVQR-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES CCCCOC(C1=C(C(N(CCCCCCCC)CCCCCCCC)=O)C=CC=C1)=O