| SpectraBase Compound ID | JrM5W1ssZiq |
|---|---|
| InChI | InChI=1S/C9H10BrNO2.BrH/c1-7-2-4-11(5-3-7)6-8(10)9(12)13;/h2-5,8H,6H2,1H3;1H |
| InChIKey | BHCOOAFMNKPSIF-UHFFFAOYSA-N |
| Mol Weight | 325.0 g/mol |
| Molecular Formula | C9H11Br2NO2 |
| Exact Mass | 322.915655 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4gWP9VIgmCL |
|---|---|
| Name | 1-(2-Bromo-2-carboxyethyl)-4-methylpyridinium bromide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11Br2NO2 |
| InChI | InChI=1S/C9H10BrNO2.BrH/c1-7-2-4-11(5-3-7)6-8(10)9(12)13;/h2-5,8H,6H2,1H3;1H |
| InChIKey | BHCOOAFMNKPSIF-UHFFFAOYSA-N |
| Molecular Weight | 325.000 g/mol |
| SMILES | [Br-].OC(C(C[n+]1ccc(C)cc1)Br)=O |
| SPLASH | splash10-0f9x-9100000000-2e530ae6a345ab3305e7 |
| Source of Spectrum | SO-0-2135-7 |
| Wiley ID | 877181 |