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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 9KVcUB8Ou1o
Name 3,3-Dimethyl-1-(3-chloro-1,2,4-(1H)triazolo)-2-butanone
CAS Registry Number 64921-94-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker WH-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3