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3-(1,3-benzodioxol-5-yl)-3-[(2-fluorobenzoyl)amino]propanoic acid
SpectraBase Compound ID BPy9tFrm2Yx
InChI InChI=1S/C17H14FNO5/c18-12-4-2-1-3-11(12)17(22)19-13(8-16(20)21)10-5-6-14-15(7-10)24-9-23-14/h1-7,13H,8-9H2,(H,19,22)(H,20,21)
InChIKey CKYPDKIHEDSKEA-UHFFFAOYSA-N
Mol Weight 331.3 g/mol
Molecular Formula C17H14FNO5
Exact Mass 331.085601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha8eB3P0mLR
Name 3-(1,3-benzodioxol-5-yl)-3-[(2-fluorobenzoyl)amino]propanoic acid
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-3-[(2-fluorobenzoyl)amino]propionic acid 3-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)carbonylamino]propanoic acid 3-(1,3-benzodioxol-5-yl)-3-[[(2-fluorophenyl)-oxomethyl]amino]propanoic acid Propionic acid, 3-(benzo[1,3]dioxol-5-yl)-3-(2-fluorobenzoylamino)-
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Formula C17H14FNO5
InChI InChI=1S/C17H14FNO5/c18-12-4-2-1-3-11(12)17(22)19-13(8-16(20)21)10-5-6-14-15(7-10)24-9-23-14/h1-7,13H,8-9H2,(H,19,22)(H,20,21)
InChIKey CKYPDKIHEDSKEA-UHFFFAOYSA-N
Molecular Weight 331.299 g/mol
SMILES OC(CC(c1cc2c(cc1)OCO2)NC(=O)c1ccccc1F)=O
SPLASH splash10-00dj-6920000000-f114385ac402b6552ac9
Wiley ID 1447606