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Adipic acid, monoamide, N,N-diphenyl-, butyl ester

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Adipic acid, monoamide, N,N-diphenyl-, butyl ester
SpectraBase Compound ID 3dLD1Ret5xw
InChI InChI=1S/C22H27NO3/c1-2-3-18-26-22(25)17-11-10-16-21(24)23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15H,2-3,10-11,16-18H2,1H3
InChIKey AHRCVCQIYAGDHN-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HpcacKSSD6
Name Adipic acid, monoamide, N,N-diphenyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-2-3-18-26-22(25)17-11-10-16-21(24)23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15H,2-3,10-11,16-18H2,1H3
InChIKey AHRCVCQIYAGDHN-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES C(CCCCC(=O)N(C=1C=CC=CC1)C=1C=CC=CC1)(OCCCC)=O