SpectraBase Compound ID | 4oVdCzXKXB5 |
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InChI | InChI=1S/C3H4BrN/c1-3(4)2-5/h3H,1H3 |
InChIKey | PYNYHMRMZOGVML-UHFFFAOYSA-N |
Mol Weight | 133.98 g/mol |
Molecular Formula | C3H4BrN |
Exact Mass | 132.952712 g/mol |
SpectraBase Spectrum ID | LlJ3HcjmPEk |
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Name | 2-Bromopropionitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 132.952712133 u |
Formula | C3H4BrN |
InChI | InChI=1S/C3H4BrN/c1-3(4)2-5/h3H,1H3 |
InChIKey | PYNYHMRMZOGVML-UHFFFAOYSA-N |
SMILES | C(#N)C(Br)C |
Spectrum/Structure Validation Score (Raman) | 0.974827 |