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4-Amino-5-(2-chloro-benzoyl)-3-methyl-3H-1,2,3-triazole

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4-Amino-5-(2-chloro-benzoyl)-3-methyl-3H-1,2,3-triazole
SpectraBase Compound ID BUxGNoRDQez
InChI InChI=1S/C10H9ClN4O/c1-15-10(12)8(13-14-15)9(16)6-4-2-3-5-7(6)11/h2-5H,12H2,1H3
InChIKey TYZYGEFTOSFXBQ-UHFFFAOYSA-N
Mol Weight 236.66 g/mol
Molecular Formula C10H9ClN4O
Exact Mass 236.046489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5axtW8hMdFs
Name 4-Amino-5-(2-chloro-benzoyl)-3-methyl-3H-1,2,3-triazole
CAS Registry Number 68221-29-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H9ClN4O
InChI InChI=1S/C10H9ClN4O/c1-15-10(12)8(13-14-15)9(16)6-4-2-3-5-7(6)11/h2-5H,12H2,1H3
InChIKey TYZYGEFTOSFXBQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference K.H. Weber, A. Langbein, Liebigs Ann. Chem. 1241 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6