| SpectraBase Compound ID | JCXetDGH89I |
|---|---|
| InChI | InChI=1S/C8H6BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H |
| InChIKey | AYTVNJIUMVFUCJ-UHFFFAOYSA-N |
| Mol Weight | 212.05 g/mol |
| Molecular Formula | C8H6BrNO |
| Exact Mass | 210.963277 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5OQKIJo5mVh |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H6BrNO |
| InChI | InChI=1S/C8H6BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H |
| InChIKey | AYTVNJIUMVFUCJ-UHFFFAOYSA-N |
| Molecular Weight | 210.9631 |
| SMILES | OC(C#N)c1ccc(cc1)Br |
| SPLASH | splash10-0fai-9810000000-4f4eb6c3413d7b3b417c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |