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N-(Tert-butoxycarbonyl)-2-(1-phenyl-1-oxomethyl)pyrrolidine
SpectraBase Compound ID Aap5GeLOHe1
InChI InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(17)14(18)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKey XJQDKMPOKJENLS-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KetLAmr6n4D
Name N-(Tert-butoxycarbonyl)-2-(1-phenyl-1-oxomethyl)pyrrolidine
Comments Computed using HOSE algorithm
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Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(17)14(18)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKey XJQDKMPOKJENLS-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES C(N1C(C(=O)C2=CC=CC=C2)CCC1)(OC(C)(C)C)=O