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5-(Aminomethyl)-1-(p-nitrophenyl)-1,2,4-triazole
SpectraBase Compound ID 6dElkR8X8MH
InChI InChI=1S/C9H9N5O2/c10-5-9-11-6-12-13(9)7-1-3-8(4-2-7)14(15)16/h1-4,6H,5,10H2
InChIKey BPGAYQRUGBMNME-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C9H9N5O2
Exact Mass 219.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV8LdZ1IPCW
Name 5-(Aminomethyl)-1-(p-nitrophenyl)-1,2,4-triazole
Alternate Name(s) [1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanamine [1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylamine
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Formula C9H9N5O2
InChI InChI=1S/C9H9N5O2/c10-5-9-11-6-12-13(9)7-1-3-8(4-2-7)14(15)16/h1-4,6H,5,10H2
InChIKey BPGAYQRUGBMNME-UHFFFAOYSA-N
Molecular Weight 219.204 g/mol
SMILES NCc1[n](ncn1)-c1ccc(cc1)N(=O)=O
SPLASH splash10-015c-9460000000-568d9ba46bd39643080d
Source of Spectrum D8-325-528-10
Wiley ID 1514426