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1H-Pyrrole-2-propanoic acid, 4-acetyl-2,5-dihydro-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (S)-
SpectraBase Compound ID IY3rDok1ETN
InChI InChI=1S/C13H19NO5/c1-7(15)10-11(17)8(14-12(10)18)5-6-9(16)19-13(2,3)4/h8,17H,5-6H2,1-4H3,(H,14,18)/t8-/m0/s1
InChIKey NRUVOFLVCAAISD-QMMMGPOBSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1e713V4rUv
Name 1H-Pyrrole-2-propanoic acid, 4-acetyl-2,5-dihydro-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (S)-
Alternate Name(s) 3-Acetyl-5-(2-t-butoxycarbonylethyl)-2-oxo-4-hydroxypyrrolidine tert-butyl 3-[(2S)-4-acetyl-3-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]propanoate
CAS Registry Number 128892-54-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-7(15)10-11(17)8(14-12(10)18)5-6-9(16)19-13(2,3)4/h8,17H,5-6H2,1-4H3,(H,14,18)/t8-/m0/s1
InChIKey NRUVOFLVCAAISD-QMMMGPOBSA-N
Molecular Weight 269.297 g/mol
SMILES N1[C@](C(=C(C1=O)C(=O)C)O)(CCC(OC(C)(C)C)=O)[H]
SPLASH splash10-03di-0090000000-f3c2399b56481653235f
Source of Spectrum KC-1990-613-3
Wiley ID 1273092