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3-Methyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
SpectraBase Compound ID GGbYJlVemNT
InChI InChI=1S/C7H11N3O/c1-6(2)7(11)3-10-5-8-4-9-10/h4-6H,3H2,1-2H3
InChIKey UBLJVBPQTOVWMH-UHFFFAOYSA-N
Mol Weight 153.18 g/mol
Molecular Formula C7H11N3O
Exact Mass 153.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhKL3NDsnDg
Name 3-Methyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Alternate Name(s) 3-Methyl-1-(1,2,4-triazol-1-yl)-2-butanone 3-Methyl-1-(1,2,4-triazol-1-yl)butan-2-one 3-Methyl-1-[(1H)-1,2,4-triazol-1-yl]butan-2-one
CAS Registry Number 64922-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N3O
InChI InChI=1S/C7H11N3O/c1-6(2)7(11)3-10-5-8-4-9-10/h4-6H,3H2,1-2H3
InChIKey UBLJVBPQTOVWMH-UHFFFAOYSA-N
Molecular Weight 153.185 g/mol
SMILES c1nc[n](CC(C(C)C)=O)n1
SPLASH splash10-000x-9000000000-a5d491941588bff8762a
Source of Spectrum W5-1989-37829-27707
Wiley ID 1150307