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1H-Pyrrolo[1,2-a][1,4]diazepine-1,5(2H)-dione, hexahydro-2-(phenylacetyl)-, (S)-
SpectraBase Compound ID IwLy6LtR8FT
InChI InChI=1S/C16H18N2O3/c19-14-8-10-18(16(21)13-7-4-9-17(13)14)15(20)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKey CKKANCAWSWFRBE-ZDUSSCGKSA-N
Mol Weight 286.33 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i6mDS96ROW
Name 1H-Pyrrolo[1,2-a][1,4]diazepine-1,5(2H)-dione, hexahydro-2-(phenylacetyl)-, (S)-
CAS Registry Number 82938-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c19-14-8-10-18(16(21)13-7-4-9-17(13)14)15(20)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKey CKKANCAWSWFRBE-ZDUSSCGKSA-N
Molecular Weight 286.331 g/mol
SMILES C1(N(CCC(N2[C@]1(CCC2)[H])=O)C(Cc1ccccc1)=O)=O
SPLASH splash10-00xr-9180000000-fe607374d8bd20d389fe
Source of Spectrum KC-1982-1315-0
Synonyms (9aS)-2-(phenylacetyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-1,5(2H)-dione N-phenylacetyl-cyclo-(.beta.-alanylprolyl)
Wiley ID 1289841