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D-Alanine, N-(4-anisoyl)-, dodecyl ester
SpectraBase Compound ID 8VyAxYolq29
InChI InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-23(26)19(2)24-22(25)20-14-16-21(27-3)17-15-20/h14-17,19H,4-13,18H2,1-3H3,(H,24,25)
InChIKey FRVKJBPYBQJXOV-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbD33nIj5Um
Name D-Alanine, N-(4-anisoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-18-28-23(26)19(2)24-22(25)20-14-16-21(27-3)17-15-20/h14-17,19H,4-13,18H2,1-3H3,(H,24,25)
InChIKey FRVKJBPYBQJXOV-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCCCC)=O)C