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3-Anilino-5-[4-(S-(-)-1-phenylethylamino)-but-1-yl]-1,2,4-triazole

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3-Anilino-5-[4-(S-(-)-1-phenylethylamino)-but-1-yl]-1,2,4-triazole
SpectraBase Compound ID Wecbgc3I8I
InChI InChI=1S/C20H25N5/c1-16(17-10-4-2-5-11-17)21-15-9-8-14-19-23-20(25-24-19)22-18-12-6-3-7-13-18/h2-7,10-13,16,21H,8-9,14-15H2,1H3,(H2,22,23,24,25)
InChIKey ARNZSOQIPZIPFZ-UHFFFAOYSA-N
Mol Weight 335.46 g/mol
Molecular Formula C20H25N5
Exact Mass 335.210996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CPuzIiSVJs
Name 3-Anilino-5-[4-(S-(-)-1-phenylethylamino)-but-1-yl]-1,2,4-triazole
Comments Computed using HOSE algorithm
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Exact Mass 335.210995825 u
Formula C20H25N5
InChI InChI=1S/C20H25N5/c1-16(17-10-4-2-5-11-17)21-15-9-8-14-19-23-20(25-24-19)22-18-12-6-3-7-13-18/h2-7,10-13,16,21H,8-9,14-15H2,1H3,(H2,22,23,24,25)
InChIKey ARNZSOQIPZIPFZ-UHFFFAOYSA-N
Molecular Weight 335.455 g/mol
SMILES C=1(NN=C(N1)NC1=CC=CC=C1)CCCCNC(C)C1=CC=CC=C1