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5-Amyl-2-phenyl-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

5-Amyl-2-phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID G1eIbaQwWWE
InChI InChI=1S/C13H17N3O/c1-2-3-5-10-12-14-13(17)16(15-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,14,15,17)
InChIKey VFUKZSDILSNJQM-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnwAFykz6Rh
Name 5-Amyl-2-phenyl-1H-1,2,4-triazol-3-one
Alternate Name(s) 5-Pentyl-2-phenyl-1H-1,2,4-triazol-3-one
CAS Registry Number 28669-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-2-3-5-10-12-14-13(17)16(15-12)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,14,15,17)
InChIKey VFUKZSDILSNJQM-UHFFFAOYSA-N
Molecular Weight 231.299 g/mol
SMILES N1C(=NC(N1c1ccccc1)=O)CCCCC
SPLASH splash10-001l-8390000000-3c6e41492e5f4a0bfe74
Source of Spectrum O-5-118-4
Wiley ID 31091