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Benzyl 2-(N-acetyl-N-benzyl)amino-3-methylbutanoate
SpectraBase Compound ID KgNKlMDyveM
InChI InChI=1S/C21H25NO3/c1-16(2)20(21(24)25-15-19-12-8-5-9-13-19)22(17(3)23)14-18-10-6-4-7-11-18/h4-13,16,20H,14-15H2,1-3H3
InChIKey XNMNBKKUHIABAM-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6ES7OLEsiZ
Name Benzyl 2-(N-acetyl-N-benzyl)amino-3-methylbutanoate
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-16(2)20(21(24)25-15-19-12-8-5-9-13-19)22(17(3)23)14-18-10-6-4-7-11-18/h4-13,16,20H,14-15H2,1-3H3
InChIKey XNMNBKKUHIABAM-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES C(N(C(=O)C)CC1=CC=CC=C1)(C(OCC=1C=CC=CC1)=O)C(C)C