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3,3-DIMETHYL-1-(4H-1,2,4-TRIAZOL-2-BUTANONE
SpectraBase Compound ID FzTInIf5xC
InChI InChI=1S/C8H13N3O/c1-8(2,3)7(12)4-11-5-9-10-6-11/h5-6H,4H2,1-3H3
InChIKey OUTIHFQPJGKWKZ-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C8H13N3O
Exact Mass 167.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2rjz6sOg2K
Name 3,3-DIMETHYL-1-(4H-1,2,4-TRIAZOL-2-BUTANONE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1984)
CAS Registry Number 66644-00-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3O
InChI InChI=1S/C8H13N3O/c1-8(2,3)7(12)4-11-5-9-10-6-11/h5-6H,4H2,1-3H3
InChIKey OUTIHFQPJGKWKZ-UHFFFAOYSA-N
Molecular Weight 167.21
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms 2-BUTANONE, 3,3-DIMETHYL- 1-/4H-1,2,4-TRIAZOL-4-YL/-,