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N-[2,3-Dihydro-4-oxo-4H-pyran-2-oyl]-(S)-proline - t-butyl ester
SpectraBase Compound ID CPevSntAOEJ
InChI InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)11-5-4-7-16(11)13(18)12-9-10(17)6-8-20-12/h6,8,11-12H,4-5,7,9H2,1-3H3/t11?,12-/m0/s1
InChIKey FOWRDLDGVVSAJE-KIYNQFGBSA-N
Mol Weight 295.34 g/mol
Molecular Formula C15H21NO5
Exact Mass 295.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4FVSrwWQMv
Name N-[2,3-Dihydro-4-oxo-4H-pyran-2-oyl]-(S)-proline - T-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 295.141972775 u
Formula C15H21NO5
InChI InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)11-5-4-7-16(11)13(18)12-9-10(17)6-8-20-12/h6,8,11-12H,4-5,7,9H2,1-3H3/t11?,12-/m0/s1
InChIKey FOWRDLDGVVSAJE-KIYNQFGBSA-N
Molecular Weight 295.335 g/mol
SMILES C(N1C(C(OC(C)(C)C)=O)CCC1)([C@@]1(CC(=O)C=CO1)[H])=O