| SpectraBase Compound ID | 5TXBtRj585O |
|---|---|
| InChI | InChI=1S/C8H8BrNO3/c9-7-4-2-1-3-6(7)8(11)5-10(12)13/h1-4,8,11H,5H2 |
| InChIKey | BJTKOTCLYXBRAC-UHFFFAOYSA-N |
| Mol Weight | 246.06 g/mol |
| Molecular Formula | C8H8BrNO3 |
| Exact Mass | 244.968756 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IGpYh3w9cJC |
|---|---|
| Name | 1-(2-Bromophenyl)-2-nitroethanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8BrNO3 |
| InChI | InChI=1S/C8H8BrNO3/c9-7-4-2-1-3-6(7)8(11)5-10(12)13/h1-4,8,11H,5H2 |
| InChIKey | BJTKOTCLYXBRAC-UHFFFAOYSA-N |
| Molecular Weight | 246.060 g/mol |
| SMILES | OC(CN(=O)=O)c1c(cccc1)Br |
| SPLASH | splash10-0a4i-0910000000-e1cdaef0ce79fc17a0c5 |
| Source of Spectrum | KC-61-4020-2 |
| Wiley ID | 1628775 |