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3-[3-(4-oxo-4H-Quinazolin-3-yl)-propionylamino]-propionic acid
SpectraBase Compound ID 15h2LvriFeP
InChI InChI=1S/C14H15N3O4/c18-12(15-7-5-13(19)20)6-8-17-9-16-11-4-2-1-3-10(11)14(17)21/h1-4,9H,5-8H2,(H,15,18)(H,19,20)
InChIKey LWFTXLYBXLNZGK-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C14H15N3O4
Exact Mass 289.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AWr46ct3JE
Name 3-[3-(4-oxo-4H-Quinazolin-3-yl)-propionylamino]-propionic acid
Comments Computed using HOSE algorithm
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Exact Mass 289.106255971 u
Formula C14H15N3O4
InChI InChI=1S/C14H15N3O4/c18-12(15-7-5-13(19)20)6-8-17-9-16-11-4-2-1-3-10(11)14(17)21/h1-4,9H,5-8H2,(H,15,18)(H,19,20)
InChIKey LWFTXLYBXLNZGK-UHFFFAOYSA-N
Molecular Weight 289.291 g/mol
SMILES C1(C2=C(C=CC=C2)N=CN1CCC(NCCC(O)=O)=O)=O