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1H-1,2,4-Triazolium, 4-(benzoylamino)-1-butyl-, hydroxide, inner salt

View entire compound with spectra: 1 MS (GC)

1H-1,2,4-Triazolium, 4-(benzoylamino)-1-butyl-, hydroxide, inner salt
SpectraBase Compound ID D3tkbuiE2Ux
InChI InChI=1S/C13H16N4O/c1-2-3-9-16-11-17(10-14-16)15-13(18)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChIKey WAJCQDBXVLSVLE-UHFFFAOYSA-N
Mol Weight 244.3 g/mol
Molecular Formula C13H16N4O
Exact Mass 244.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ed5yNIrC7g
Name 1H-1,2,4-Triazolium, 4-(benzoylamino)-1-butyl-, hydroxide, inner salt
Alternate Name(s) 1-Butyl-4-benzoylimino-1,2,4-triazolium-ylide N-(1-butyl-1H-1,2,4-triazol-4-ium-4-yl)benzenecarboximidate
CAS Registry Number 55670-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N4O
InChI InChI=1S/C13H16N4O/c1-2-3-9-16-11-17(10-14-16)15-13(18)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3
InChIKey WAJCQDBXVLSVLE-UHFFFAOYSA-N
Molecular Weight 244.298 g/mol
SMILES CCCC[n]1c[n+](cn1)\N=C\(c1ccccc1)[O-]
SPLASH splash10-03xr-2900000000-bf6110847d9aafb6e01c
Source of Spectrum EP-2209-0-0
Wiley ID 1246912