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N-(2-Oxo-2H-1-benzopyran-4-yl)valine
SpectraBase Compound ID AQjiNsttGYA
InChI InChI=1S/C14H15NO4/c1-8(2)13(14(17)18)15-10-7-12(16)19-11-6-4-3-5-9(10)11/h3-8,13,15H,1-2H3,(H,17,18)/t13-/m0/s1
InChIKey KZJQEJXGVGCDAP-ZDUSSCGKSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lzjgFfrnzU
Name N-(2-Oxo-2H-1-benzopyran-4-yl)valine
Comments Less than 3 mono-isotopic peaks
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Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-8(2)13(14(17)18)15-10-7-12(16)19-11-6-4-3-5-9(10)11/h3-8,13,15H,1-2H3,(H,17,18)/t13-/m0/s1
InChIKey KZJQEJXGVGCDAP-ZDUSSCGKSA-N
Molecular Weight 261.277 g/mol
SMILES N(C1=CC(=O)Oc2c1cccc2)[C@](C(=O)O)(C(C)C)[H]
SPLASH splash10-03di-0190000000-a770f28696a25b1cfd56
Source of Spectrum F-55-13216-3
Synonyms (2S)-3-methyl-2-[(2-oxo-2H-chromen-4-yl)amino]butanoic acid
Wiley ID 839892