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(S)-3-Amino-2-[1-(3-phenylprop-2-en-1-yloxy)ethyl]quinazolin-4(3H)-one
SpectraBase Compound ID 6AGgAvfDCIR
InChI InChI=1S/C19H19N3O2/c1-14(24-13-7-10-15-8-3-2-4-9-15)18-21-17-12-6-5-11-16(17)19(23)22(18)20/h2-12,14H,13,20H2,1H3/b10-7+/t14-/m0/s1
InChIKey VSVXDKAUVDAXRO-RNVIBTMRSA-N
Mol Weight 321.38 g/mol
Molecular Formula C19H19N3O2
Exact Mass 321.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NbCtejn2nH
Name (S)-3-Amino-2-[1-(3-phenylprop-2-en-1-yloxy)ethyl]quinazolin-4(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 321.147726862 u
Formula C19H19N3O2
InChI InChI=1S/C19H19N3O2/c1-14(24-13-7-10-15-8-3-2-4-9-15)18-21-17-12-6-5-11-16(17)19(23)22(18)20/h2-12,14H,13,20H2,1H3/b10-7+/t14-/m0/s1
InChIKey VSVXDKAUVDAXRO-RNVIBTMRSA-N
Molecular Weight 321.380 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)N)[C@@](OC\C=C\C1=CC=CC=C1)(C)[H]