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5-(1-Ethylpropyl)-2-phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID AQgtwYPy26z
InChI InChI=1S/C13H17N3O/c1-3-10(4-2)12-14-13(17)16(15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,14,15,17)
InChIKey UADIPXZYCBIMBE-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 KLyfzvRLUWi
Name 5-(1-Ethylpropyl)-2-phenyl-1H-1,2,4-triazol-3-one
Alternate Name(s) 5-Pentan-3-yl-2-phenyl-1H-1,2,4-triazol-3-one
CAS Registry Number 5507-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-3-10(4-2)12-14-13(17)16(15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,14,15,17)
InChIKey UADIPXZYCBIMBE-UHFFFAOYSA-N
Molecular Weight 231.299 g/mol
SMILES N1N(C(N=C1C(CC)CC)=O)c1ccccc1
SPLASH splash10-000x-9480000000-433bcb5e1126c1e2ebaa
Source of Spectrum O-5-119-8
Wiley ID 1232813