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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(1-naphthoyl)-, heptyl ester
SpectraBase Compound ID GzF00YwJV7Q
InChI InChI=1S/C21H27NO3/c1-2-3-4-5-8-16-25-20(23)14-15-22-21(24)19-13-9-11-17-10-6-7-12-18(17)19/h6-7,9-13H,2-5,8,14-16H2,1H3,(H,22,24)
InChIKey SMCFODOPVVAIOF-UHFFFAOYSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KVTInpJK4d
Name .beta.-Alanine, N-(1-naphthoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.199093730 u
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-2-3-4-5-8-16-25-20(23)14-15-22-21(24)19-13-9-11-17-10-6-7-12-18(17)19/h6-7,9-13H,2-5,8,14-16H2,1H3,(H,22,24)
InChIKey SMCFODOPVVAIOF-UHFFFAOYSA-N
Molecular Weight 341.451 g/mol
SMILES C1=2C(=CC=CC2C(NCCC(OCCCCCCC)=O)=O)C=CC=C1