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N-Benzyl-N-(N-propyloxycarbonyl)-2-methyl-.beta.-alanine, N-propyl ester

View entire compound with spectra: 1 NMR

N-Benzyl-N-(N-propyloxycarbonyl)-2-methyl-.beta.-alanine, N-propyl ester
SpectraBase Compound ID 6xEcbYXxAaR
InChI InChI=1S/C18H27NO4/c1-4-11-22-17(20)15(3)13-19(18(21)23-12-5-2)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3
InChIKey IUCWFYOJRFXGCG-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTEKAdOmIeF
Name N-Benzyl-N-(N-propyloxycarbonyl)-2-methyl-.beta.-alanine, N-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-4-11-22-17(20)15(3)13-19(18(21)23-12-5-2)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3
InChIKey IUCWFYOJRFXGCG-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C1=CC=C(C=C1)CN(CC(C(OCCC)=O)C)C(OCCC)=O