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4-Acetyl-5-methyl-2-phenyl-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

4-Acetyl-5-methyl-2-phenyl-1,2,4-triazol-3-one
SpectraBase Compound ID 29CGvHmLkhd
InChI InChI=1S/C11H11N3O2/c1-8-12-14(10-6-4-3-5-7-10)11(16)13(8)9(2)15/h3-7H,1-2H3
InChIKey STRLEIRQRNXIPA-UHFFFAOYSA-N
Mol Weight 217.23 g/mol
Molecular Formula C11H11N3O2
Exact Mass 217.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EcXghmaAs7
Name 4-Acetyl-5-methyl-2-phenyl-1,2,4-triazol-3-one
Alternate Name(s) 4-Ethanoyl-5-methyl-2-phenyl-1,2,4-triazol-3-one
CAS Registry Number 28740-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2
InChI InChI=1S/C11H11N3O2/c1-8-12-14(10-6-4-3-5-7-10)11(16)13(8)9(2)15/h3-7H,1-2H3
InChIKey STRLEIRQRNXIPA-UHFFFAOYSA-N
Molecular Weight 217.228 g/mol
SMILES C1(N(C(C)=NN1c1ccccc1)C(=O)C)=O
SPLASH splash10-0006-9110000000-4e29c7682ec244f6abc7
Source of Spectrum O-5-119-18
Wiley ID 1216443