![N-(5-Butyl-[1,3,4]thiadiazol-2-yl)-2-chloroacetamide](/api/spectrum/AsSYeiEUDnc/structure.png?h=300&w=458 "N-(5-Butyl-[1,3,4]thiadiazol-2-yl)-2-chloroacetamide")
| SpectraBase Compound ID | CoOKEQeDrvc |
|---|---|
| InChI | InChI=1S/C8H12ClN3OS/c1-2-3-4-7-11-12-8(14-7)10-6(13)5-9/h2-5H2,1H3,(H,10,12,13) |
| InChIKey | SEJIXCOQUMLMFB-UHFFFAOYSA-N |
| Mol Weight | 233.72 g/mol |
| Molecular Formula | C8H12ClN3OS |
| Exact Mass | 233.038961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsSYeiEUDnc |
|---|---|
| Name | N-(5-Butyl-[1,3,4]thiadiazol-2-yl)-2-chloroacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.038960891 u |
| Formula | C8H12ClN3OS |
| InChI | InChI=1S/C8H12ClN3OS/c1-2-3-4-7-11-12-8(14-7)10-6(13)5-9/h2-5H2,1H3,(H,10,12,13) |
| InChIKey | SEJIXCOQUMLMFB-UHFFFAOYSA-N |
| Molecular Weight | 233.717 g/mol |
| SMILES | C=1(SC(=NN1)CCCC)NC(=O)CCl |