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Trans-1-[1-(3,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(dimethylamino)-2-propen-1-one
SpectraBase Compound ID 6sPmLKpOewJ
InChI InChI=1S/C14H14Cl2N4O/c1-9-14(13(21)6-7-19(2)3)17-18-20(9)10-4-5-11(15)12(16)8-10/h4-8H,1-3H3/b7-6+
InChIKey IDPQRNLKAGEUAW-VOTSOKGWSA-N
Mol Weight 325.2 g/mol
Molecular Formula C14H14Cl2N4O
Exact Mass 324.054466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4f6M2phd2u
Name Trans-1-[1-(3,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(dimethylamino)-2-propen-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.054466486 u
Formula C14H14Cl2N4O
InChI InChI=1S/C14H14Cl2N4O/c1-9-14(13(21)6-7-19(2)3)17-18-20(9)10-4-5-11(15)12(16)8-10/h4-8H,1-3H3/b7-6+
InChIKey IDPQRNLKAGEUAW-VOTSOKGWSA-N
Molecular Weight 325.199 g/mol
SMILES C=1C(=CC=C(C1Cl)Cl)N1C(=C(N=N1)C(\C=C\N(C)C)=O)C