| SpectraBase Compound ID | 9Q2kCt68y1i |
|---|---|
| InChI | InChI=1S/C9H6BrF3N2O2/c10-6-3-1-5(2-4-6)7(16)14-15-8(17)9(11,12)13/h1-4H,(H,14,16)(H,15,17) |
| InChIKey | VMSTTXJAKMHLOY-UHFFFAOYSA-N |
| Mol Weight | 311.06 g/mol |
| Molecular Formula | C9H6BrF3N2O2 |
| Exact Mass | 309.956475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70lpeiq1mNc |
|---|---|
| Name | Acethydrazide, 2,2,2-trifluoro-N2-(4-bromobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.956474928 u |
| Formula | C9H6BrF3N2O2 |
| InChI | InChI=1S/C9H6BrF3N2O2/c10-6-3-1-5(2-4-6)7(16)14-15-8(17)9(11,12)13/h1-4H,(H,14,16)(H,15,17) |
| InChIKey | VMSTTXJAKMHLOY-UHFFFAOYSA-N |
| Molecular Weight | 311.058 g/mol |
| SMILES | C(C(F)(F)F)(NNC(C=1C=CC(=CC1)Br)=O)=O |