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D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 1H7GsHMDfkv
InChI InChI=1S/C23H37NO3/c1-4-6-7-8-9-10-11-12-13-18-27-23(26)19(3)24-22(25)21-16-14-20(5-2)15-17-21/h14-17,19H,4-13,18H2,1-3H3,(H,24,25)
InChIKey GCJQCZNTJKTDHF-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 5xgzJpzxlhS
Name D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 375.277344052 u
Formula C23H37NO3
InChI InChI=1S/C23H37NO3/c1-4-6-7-8-9-10-11-12-13-18-27-23(26)19(3)24-22(25)21-16-14-20(5-2)15-17-21/h14-17,19H,4-13,18H2,1-3H3,(H,24,25)
InChIKey GCJQCZNTJKTDHF-UHFFFAOYSA-N
Molecular Weight 375.553 g/mol
SMILES C(NC(=O)C=1C=CC(CC)=CC1)(C(OCCCCCCCCCCC)=O)C