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.beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester

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

.beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester
SpectraBase Compound ID JD1krAc4mLD
InChI InChI=1S/C23H37NO3/c1-3-5-7-8-9-10-11-19-27-22(25)17-18-24-23(26)21-15-13-20(14-16-21)12-6-4-2/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKey ZGWSNVLLTRVKSD-UHFFFAOYSA-N
Mol Weight 375.6 g/mol
Molecular Formula C23H37NO3
Exact Mass 375.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID nTF3YgMagK
Name .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 375.277344052 u
Formula C23H37NO3
InChI InChI=1S/C23H37NO3/c1-3-5-7-8-9-10-11-19-27-22(25)17-18-24-23(26)21-15-13-20(14-16-21)12-6-4-2/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKey ZGWSNVLLTRVKSD-UHFFFAOYSA-N
Molecular Weight 375.553 g/mol
SMILES C1=CC(=CC=C1CCCC)C(NCCC(OCCCCCCCCC)=O)=O