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4-Amino-3,5-bis(1-amino-2-phenylethyl)-1,2,4-triazole
SpectraBase Compound ID D06xNK16AMw
InChI InChI=1S/C18H22N6/c19-15(11-13-7-3-1-4-8-13)17-22-23-18(24(17)21)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-21H2
InChIKey PJUADHBOUNFZNC-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C18H22N6
Exact Mass 322.190595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZjDnKxsAiA
Name 4-Amino-3,5-bis(1-amino-2-phenylethyl)-1,2,4-triazole
Alternate Name(s) 1-[4-amino-5-(1-amino-2-phenylethyl)-4H-1,2,4-triazol-3-yl]-2-phenylethylamine 3,5-bis(1-amino-2-phenylethyl)-4H-1,2,4-triazol-4-amine
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Formula C18H22N6
InChI InChI=1S/C18H22N6/c19-15(11-13-7-3-1-4-8-13)17-22-23-18(24(17)21)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-21H2
InChIKey PJUADHBOUNFZNC-UHFFFAOYSA-N
Molecular Weight 322.416 g/mol
SMILES NC(c1nnc([n]1N)C(Cc1ccccc1)N)Cc1ccccc1
SPLASH splash10-0159-0090000000-9d8feb11d0c7809c3764
Source of Spectrum QC-5-1296-12
Wiley ID 883644