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1-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-3,3-DIMETHYL-2-BUTANONE
SpectraBase Compound ID F3w38Zz5JKi
InChI InChI=1S/C8H12ClN3O/c1-8(2,3)6(13)4-12-5-10-7(9)11-12/h5H,4H2,1-3H3
InChIKey RUGXYFVTJPHMSI-UHFFFAOYSA-N
Mol Weight 201.66 g/mol
Molecular Formula C8H12ClN3O
Exact Mass 201.06689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2Zkk3Kn9dg
Name 1-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-3,3-DIMETHYL-2-BUTANONE
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1983)
CAS Registry Number 64921-94-4
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12ClN3O
InChI InChI=1S/C8H12ClN3O/c1-8(2,3)6(13)4-12-5-10-7(9)11-12/h5H,4H2,1-3H3
InChIKey RUGXYFVTJPHMSI-UHFFFAOYSA-N
Molecular Weight 201.66
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-270
Synonyms 2-BUTANONE, 1-/3-CHLORO-1H-1,2,4- TRIAZOL-1-YL/-3,3-DIMETHYL-,