![N-(3,4-difluorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide](/api/spectrum/Ah7vBVHg2l4/structure.png?h=300&w=458 "N-(3,4-difluorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide")
| SpectraBase Compound ID | BbLaoTQrexo |
|---|---|
| InChI | InChI=1S/C10H9F2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,18) |
| InChIKey | BCCIVOWPJUBCBK-UHFFFAOYSA-N |
| Mol Weight | 285.27 g/mol |
| Molecular Formula | C10H9F2N5OS |
| Exact Mass | 285.049587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ah7vBVHg2l4 |
|---|---|
| Name | N-(3,4-Difluorophenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.049587429 u |
| Formula | C10H9F2N5OS |
| InChI | InChI=1S/C10H9F2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H,13,18) |
| InChIKey | BCCIVOWPJUBCBK-UHFFFAOYSA-N |
| Molecular Weight | 285.273 g/mol |
| SMILES | N(C(CSC=1N(N=NN1)C)=O)C=1C=C(F)C(=CC1)F |