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.beta.-Alanine, N-(1-naphthoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(1-naphthoyl)-, nonyl ester
SpectraBase Compound ID Jye440B3iJz
InChI InChI=1S/C23H31NO3/c1-2-3-4-5-6-7-10-18-27-22(25)16-17-24-23(26)21-15-11-13-19-12-8-9-14-20(19)21/h8-9,11-15H,2-7,10,16-18H2,1H3,(H,24,26)
InChIKey VJWFUCNLQDHAMZ-UHFFFAOYSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UFsYMzEBVg
Name .beta.-Alanine, N-(1-naphthoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.230393859 u
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-2-3-4-5-6-7-10-18-27-22(25)16-17-24-23(26)21-15-11-13-19-12-8-9-14-20(19)21/h8-9,11-15H,2-7,10,16-18H2,1H3,(H,24,26)
InChIKey VJWFUCNLQDHAMZ-UHFFFAOYSA-N
Molecular Weight 369.505 g/mol
SMILES C1=2C(=CC=CC2C(NCCC(OCCCCCCCCC)=O)=O)C=CC=C1