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2,5-DICHLORO-3-(1,2,4-TRIAZOL-1-YL)-4,4-DIMETHOXY-5-ALLYL-2-CYCLOPENTENONE
SpectraBase Compound ID 1ogHa2XSNqG
InChI InChI=1S/C12H13Cl2N3O3/c1-4-5-11(14)10(18)8(13)9(12(11,19-2)20-3)17-7-15-6-16-17/h4,6-7H,1,5H2,2-3H3
InChIKey QXSAPUAPIZUBHR-UHFFFAOYSA-N
Mol Weight 318.16 g/mol
Molecular Formula C12H13Cl2N3O3
Exact Mass 317.033397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FT8pJCajfs
Name 2,5-DICHLORO-3-(1,2,4-TRIAZOL-1-YL)-4,4-DIMETHOXY-5-ALLYL-2-CYCLOPENTENONE
Comments 99
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13Cl2N3O3
InChI InChI=1S/C12H13Cl2N3O3/c1-4-5-11(14)10(18)8(13)9(12(11,19-2)20-3)17-7-15-6-16-17/h4,6-7H,1,5H2,2-3H3
InChIKey QXSAPUAPIZUBHR-UHFFFAOYSA-N
Instrument Name Bruker AM-300
Literature Reference G.A.TOLSTIKOV, S.A.ISMAILOV, E.V.PRISCHEPOVA, M.S.MIFTAKHOV (1991)Zhurn.Org.Khim.(Russ. Lang.): v.27, N11, 2334-2340.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d