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Phthalic acid, monoamide, N,N-diheptyl, pentyl ester

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

Phthalic acid, monoamide, N,N-diheptyl, pentyl ester
SpectraBase Compound ID IjYu8WZxEc4
InChI InChI=1S/C27H45NO3/c1-4-7-10-12-16-21-28(22-17-13-11-8-5-2)26(29)24-19-14-15-20-25(24)27(30)31-23-18-9-6-3/h14-15,19-20H,4-13,16-18,21-23H2,1-3H3
InChIKey MAYRXIXDQZYHKO-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bnSjQb15ez
Name Phthalic acid, monoamide, N,N-diheptyl, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.339944310 u
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-4-7-10-12-16-21-28(22-17-13-11-8-5-2)26(29)24-19-14-15-20-25(24)27(30)31-23-18-9-6-3/h14-15,19-20H,4-13,16-18,21-23H2,1-3H3
InChIKey MAYRXIXDQZYHKO-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES C(N(CCCCCCC)CCCCCCC)(=O)C1=C(C=CC=C1)C(OCCCCC)=O