| SpectraBase Compound ID | 9aDPFZbLJPJ |
|---|---|
| InChI | InChI=1S/C10H8BrNO/c1-8(11)7-13-10-5-3-2-4-9(10)6-12/h2-5H,1,7H2 |
| InChIKey | MMNYKXYWHBMPJE-UHFFFAOYSA-N |
| Mol Weight | 238.08 g/mol |
| Molecular Formula | C10H8BrNO |
| Exact Mass | 236.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gqhz3oLENEz |
|---|---|
| Name | 2-(2-Bromanylprop-2-enoxy)benzenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.978926881 u |
| Formula | C10H8BrNO |
| InChI | InChI=1S/C10H8BrNO/c1-8(11)7-13-10-5-3-2-4-9(10)6-12/h2-5H,1,7H2 |
| InChIKey | MMNYKXYWHBMPJE-UHFFFAOYSA-N |
| Molecular Weight | 238.084 g/mol |
| SMILES | C(#N)C=1C(OCC(=C)Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9629 |