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N-(t-Butoxycarbonyl)-L-(4'-fluorophenyl)alanine - N-methoxy - N-methylamide
SpectraBase Compound ID gMqrS4TZys
InChI InChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)18-13(14(20)19(4)22-5)10-11-6-8-12(17)9-7-11/h6-9,13H,10H2,1-5H3,(H,18,21)/t13-/m0/s1
InChIKey XRKLGYFMVVWPMR-ZDUSSCGKSA-N
Mol Weight 326.37 g/mol
Molecular Formula C16H23FN2O4
Exact Mass 326.164185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gb9Kl58mhvx
Name N-(T-Butoxycarbonyl)-L-(4'-fluorophenyl)alanine - N-methoxy - N-methylamide
Comments Computed using HOSE algorithm
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Exact Mass 326.164185388 u
Formula C16H23FN2O4
InChI InChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)18-13(14(20)19(4)22-5)10-11-6-8-12(17)9-7-11/h6-9,13H,10H2,1-5H3,(H,18,21)/t13-/m0/s1
InChIKey XRKLGYFMVVWPMR-ZDUSSCGKSA-N
Molecular Weight 326.368 g/mol
SMILES C([C@@](NC(OC(C)(C)C)=O)(CC=1C=CC(=CC1)F)[H])(N(OC)C)=O