SpectraBase Compound ID | 5LVOt97VDzk |
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InChI | InChI=1S/C12H13ClN4O3S/c1-19-9-6-8(10(20-2)5-7(9)13)15-12(21)17-16-11(18)3-4-14/h5-6H,3H2,1-2H3,(H,16,18)(H2,15,17,21) |
InChIKey | LSVZFOAXXIKCMW-UHFFFAOYSA-N |
Mol Weight | 328.77 g/mol |
Molecular Formula | C12H13ClN4O3S |
Exact Mass | 328.039689 g/mol |
SpectraBase Spectrum ID | 8oFwGDvlaaP |
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Name | 4-(4-chloro-2,5-dimethoxyphenyl)-1-(cyanoacetyl)-3-thiosemicarbazide |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H13ClN4O3S |
InChI | InChI=1S/C12H13ClN4O3S/c1-19-9-6-8(10(20-2)5-7(9)13)15-12(21)17-16-11(18)3-4-14/h5-6H,3H2,1-2H3,(H,16,18)(H2,15,17,21) |
InChIKey | LSVZFOAXXIKCMW-UHFFFAOYSA-N |
Instrument Name | Varian A-60 |
Sadtler NMR Number | 24816M |
Solvent | DMSO-d6 |