| SpectraBase Compound ID | Ke5Q5AesAB2 |
|---|---|
| InChI | InChI=1S/C7H8BrN/c8-6-4-2-1-3-5-7-9/h1,3,5-6H2 |
| InChIKey | XDSYGPQIMBIKLH-UHFFFAOYSA-N |
| Mol Weight | 186.05 g/mol |
| Molecular Formula | C7H8BrN |
| Exact Mass | 184.984012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ck3ZRLLOFFg |
|---|---|
| Name | 5-Heptynenitrile, 7-bromo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.984012262 u |
| Formula | C7H8BrN |
| InChI | InChI=1S/C7H8BrN/c8-6-4-2-1-3-5-7-9/h1,3,5-6H2 |
| InChIKey | XDSYGPQIMBIKLH-UHFFFAOYSA-N |
| Molecular Weight | 186.052 g/mol |
| SMILES | C(#N)CCCC#CCBr |