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N-Benzyl-N-isopropyloxycarbonyl-2-methyl-.beta.-alanine, isopropyl ester

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N-Benzyl-N-isopropyloxycarbonyl-2-methyl-.beta.-alanine, isopropyl ester
SpectraBase Compound ID 648P4znSFJz
InChI InChI=1S/C18H27NO4/c1-13(2)22-17(20)15(5)11-19(18(21)23-14(3)4)12-16-9-7-6-8-10-16/h6-10,13-15H,11-12H2,1-5H3
InChIKey RTFLDBKNLRGWTH-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 6UkHNu8eQb2
Name N-Benzyl-N-isopropyloxycarbonyl-2-methyl-.beta.-alanine, isopropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-13(2)22-17(20)15(5)11-19(18(21)23-14(3)4)12-16-9-7-6-8-10-16/h6-10,13-15H,11-12H2,1-5H3
InChIKey RTFLDBKNLRGWTH-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C1=CC=C(C=C1)CN(CC(C(OC(C)C)=O)C)C(OC(C)C)=O