| SpectraBase Compound ID | 53KqWjbRvpr |
|---|---|
| InChI | InChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(5-8(7)12)14-10(18)16-15-9(17)3-4-13/h1-2,5H,3H2,(H,15,17)(H2,14,16,18) |
| InChIKey | XKQJVBSDCOCZFV-UHFFFAOYSA-N |
| Mol Weight | 303.17 g/mol |
| Molecular Formula | C10H8Cl2N4OS |
| Exact Mass | 301.979587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 28g9957WvcX |
|---|---|
| Name | 1-(Cyanoacetyl)-4-(3,4-dichlorophenyl)-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.979587467 u |
| Formula | C10H8Cl2N4OS |
| InChI | InChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(5-8(7)12)14-10(18)16-15-9(17)3-4-13/h1-2,5H,3H2,(H,15,17)(H2,14,16,18) |
| InChIKey | XKQJVBSDCOCZFV-UHFFFAOYSA-N |
| Molecular Weight | 303.167 g/mol |
| SMILES | N(C1=CC=C(C(=C1)Cl)Cl)C(NNC(CC#N)=O)=S |