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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(1-naphthoyl)-, octyl ester
SpectraBase Compound ID 6AbLtai8ZKB
InChI InChI=1S/C22H29NO3/c1-2-3-4-5-6-9-17-26-21(24)15-16-23-22(25)20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-14H,2-6,9,15-17H2,1H3,(H,23,25)
InChIKey YMABQZKZJPTCBJ-UHFFFAOYSA-N
Mol Weight 355.48 g/mol
Molecular Formula C22H29NO3
Exact Mass 355.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fHa9tVXs0Q
Name .beta.-Alanine, N-(1-naphthoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.214743795 u
Formula C22H29NO3
InChI InChI=1S/C22H29NO3/c1-2-3-4-5-6-9-17-26-21(24)15-16-23-22(25)20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-14H,2-6,9,15-17H2,1H3,(H,23,25)
InChIKey YMABQZKZJPTCBJ-UHFFFAOYSA-N
Molecular Weight 355.478 g/mol
SMILES C1=2C(=CC=CC2C(NCCC(OCCCCCCCC)=O)=O)C=CC=C1