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D-Alanine, N-(3-anisoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(3-anisoyl)-, undecyl ester
SpectraBase Compound ID BA8eXkD9bqo
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-16-27-22(25)18(2)23-21(24)19-14-13-15-20(17-19)26-3/h13-15,17-18H,4-12,16H2,1-3H3,(H,23,24)
InChIKey BTFFXSUQXKHSAQ-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVjjuYTnSlY
Name D-Alanine, N-(3-anisoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-16-27-22(25)18(2)23-21(24)19-14-13-15-20(17-19)26-3/h13-15,17-18H,4-12,16H2,1-3H3,(H,23,24)
InChIKey BTFFXSUQXKHSAQ-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C(NC(=O)C1=CC(=CC=C1)OC)(C(OCCCCCCCCCCC)=O)C