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5-(3-Methylbutyl)-2-phenyl-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

5-(3-Methylbutyl)-2-phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID HoAG5GIFXDz
InChI InChI=1S/C13H17N3O/c1-10(2)8-9-12-14-13(17)16(15-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15,17)
InChIKey DWDRYOHVYKPYCD-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 IgCLyuZHRc3
Name 5-(3-Methylbutyl)-2-phenyl-1H-1,2,4-triazol-3-one
Alternate Name(s) 5-isoamyl-2-phenyl-1H-1,2,4-triazol-3-one 5-isopentyl-2-phenyl-1H-1,2,4-triazol-3-one
CAS Registry Number 28669-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-10(2)8-9-12-14-13(17)16(15-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15,17)
InChIKey DWDRYOHVYKPYCD-UHFFFAOYSA-N
Molecular Weight 231.299 g/mol
SMILES N1C(=NC(N1c1ccccc1)=O)CCC(C)C
SPLASH splash10-001l-7390000000-01ba2c4be54619c528b6
Source of Spectrum O-5-119-7
Wiley ID 1232811