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N-(2-Oxo-2H-1-benzopyran-4-yl)proline
SpectraBase Compound ID DTAxURD9Cz2
InChI InChI=1S/C14H13NO4/c16-13-8-11(9-4-1-2-6-12(9)19-13)15-7-3-5-10(15)14(17)18/h1-2,4,6,8,10H,3,5,7H2,(H,17,18)
InChIKey MQRYQGIZKJNFLK-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C14H13NO4
Exact Mass 259.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HR1zW6bt1ky
Name N-(2-Oxo-2H-1-benzopyran-4-yl)proline
Alternate Name(s) 1-(2-oxo-2H-chromen-4-yl)proline 1-(2-oxo-1-benzopyran-4-yl)-2-pyrrolidinecarboxylic acid 1-(2-oxochromen-4-yl)pyrrolidine-2-carboxylic acid 1-(2-oxidanylidenechromen-4-yl)pyrrolidine-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H13NO4
InChI InChI=1S/C14H13NO4/c16-13-8-11(9-4-1-2-6-12(9)19-13)15-7-3-5-10(15)14(17)18/h1-2,4,6,8,10H,3,5,7H2,(H,17,18)
InChIKey MQRYQGIZKJNFLK-UHFFFAOYSA-N
Molecular Weight 259.261 g/mol
SMILES OC(C1N(C2=CC(=O)Oc3c2cccc3)CCC1)=O
SPLASH splash10-03di-0090000000-cef795ed8a8d73ceeb41
Source of Spectrum F-55-13217-3
Wiley ID 839889