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2-(1,3-diketo-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazol-2-yl)-N-p-phenetyl-acetamide
SpectraBase Compound ID 8ljxdOhWsjQ
InChI InChI=1S/C16H19N3O4/c1-2-23-12-7-5-11(6-8-12)17-14(20)10-19-15(21)13-4-3-9-18(13)16(19)22/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)
InChIKey RXACAGTWPFPNKS-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C16H19N3O4
Exact Mass 317.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ewGQnaNHMx
Name 2-(1,3-Diketo-5,6,7,7A-tetrahydropyrrol[1,2-C]imidazol-2-yl)-N-p-phenetyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.137556100 u
Formula C16H19N3O4
InChI InChI=1S/C16H19N3O4/c1-2-23-12-7-5-11(6-8-12)17-14(20)10-19-15(21)13-4-3-9-18(13)16(19)22/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)
InChIKey RXACAGTWPFPNKS-UHFFFAOYSA-N
Molecular Weight 317.345 g/mol
SMILES CCOC1=CC=C(C=C1)NC(=O)CN1C(C2N(C1=O)CCC2)=O