| SpectraBase Compound ID | 4f0tjY2PYsl |
|---|---|
| InChI | InChI=1S/C9H6BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,(H2,11,12) |
| InChIKey | PBDAIWZGBTWPKK-UHFFFAOYSA-N |
| Mol Weight | 224.06 g/mol |
| Molecular Formula | C9H6BrNO |
| Exact Mass | 222.963277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gDtm45Vdwj |
|---|---|
| Name | 3-(4-Bromophenyl)prop-2-ynamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.963276816 u |
| Formula | C9H6BrNO |
| InChI | InChI=1S/C9H6BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,(H2,11,12) |
| InChIKey | PBDAIWZGBTWPKK-UHFFFAOYSA-N |
| Molecular Weight | 224.057 g/mol |
| SMILES | C(#CC=1C=CC(=CC1)Br)C(=O)N |