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

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-Butyl-2-phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID Abb1v1CKtwp
InChI InChI=1S/C12H15N3O/c1-2-3-9-11-13-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14,16)
InChIKey UQKOWYYBLGSUHO-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C12H15N3O
Exact Mass 217.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9M55RCUvm1D
Name 5-Butyl-2-phenyl-1H-1,2,4-triazol-3-one
CAS Registry Number 5133-69-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O
InChI InChI=1S/C12H15N3O/c1-2-3-9-11-13-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14,16)
InChIKey UQKOWYYBLGSUHO-UHFFFAOYSA-N
Molecular Weight 217.272 g/mol
SMILES N1C(=NN(C1=O)c1ccccc1)CCCC
SPLASH splash10-014l-7190000000-ba3298f492b18405c5fe
Source of Spectrum O-5-118-3
Wiley ID 1216574