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4-[(6-Amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carbonyl)amino]benzoic acid
SpectraBase Compound ID L8QYxbkBhWG
InChI InChI=1S/C16H14N4O3/c17-8-11-12-2-1-7-20(12)14(13(11)18)15(21)19-10-5-3-9(4-6-10)16(22)23/h3-6H,1-2,7,18H2,(H,19,21)(H,22,23)
InChIKey RWBMZYOEMMCGNT-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C16H14N4O3
Exact Mass 310.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ANmqLAp9rV
Name 4-[(6-Amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carbonyl)amino]benzoic acid
Alternate Name(s) 4-[[(2-amino-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)-oxomethyl]amino]benzoic acid 4-[(2-azanyl-1-cyano-6,7-dihydro-5H-pyrrolizin-3-yl)carbonylamino]benzoic acid
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Formula C16H14N4O3
InChI InChI=1S/C16H14N4O3/c17-8-11-12-2-1-7-20(12)14(13(11)18)15(21)19-10-5-3-9(4-6-10)16(22)23/h3-6H,1-2,7,18H2,(H,19,21)(H,22,23)
InChIKey RWBMZYOEMMCGNT-UHFFFAOYSA-N
Molecular Weight 310.313 g/mol
SMILES Nc1c(c2[n](c1C(Nc1ccc(C(=O)O)cc1)=O)CCC2)C#N
SPLASH splash10-00xr-4901000000-d8f3c87e8738ca4eac04
Source of Spectrum F2-45-487-9f
Wiley ID 1689083