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4-Amino-2-butyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID JNa9yIubPuF
InChI InChI=1S/C12H16N4O/c1-2-3-9-15-12(17)16(13)11(14-15)10-7-5-4-6-8-10/h4-8H,2-3,9,13H2,1H3
InChIKey VWPPSQNZNZLEJO-UHFFFAOYSA-N
Mol Weight 232.29 g/mol
Molecular Formula C12H16N4O
Exact Mass 232.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53lMvFjdGS
Name 4-Amino-2-butyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Alternate Name(s) 1-Butyl-3-phenyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one 4-Amino-2-butyl-5-phenyl-1,2,4-triazol-3-one 4-Azanyl-2-butyl-5-phenyl-1,2,4-triazol-3-one
CAS Registry Number 73316-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O
InChI InChI=1S/C12H16N4O/c1-2-3-9-15-12(17)16(13)11(14-15)10-7-5-4-6-8-10/h4-8H,2-3,9,13H2,1H3
InChIKey VWPPSQNZNZLEJO-UHFFFAOYSA-N
Molecular Weight 232.287 g/mol
SMILES NN1C(c2ccccc2)=NN(CCCC)C1=O
SPLASH splash10-0fur-5930000000-d7766e32a850572d5cc8
Source of Spectrum O-14-376-4
Wiley ID 1233638