| SpectraBase Compound ID | BFM0XoN7kGl |
|---|---|
| InChI | InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D |
| InChIKey | AGEZXYOZHKGVCM-CBYSEHNBSA-N |
| Mol Weight | 174.06 g/mol |
| Molecular Formula | C7H4D3Br |
| Exact Mass | 172.991943 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E604kNDvdP3 |
|---|---|
| Name | 5-(bromomethyl)-1,2,3-trideuterio-benzene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H4D3Br |
| InChI | InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D |
| InChIKey | AGEZXYOZHKGVCM-CBYSEHNBSA-N |
| Molecular Weight | 174.055 g/mol |
| SMILES | C(Br)c1cc([D])c(c(c1)[D])[D] |
| SPLASH | splash10-0006-9100000000-0ba04031f87bb9dbb3f2 |
| Source of Spectrum | KC-0-930-0 |
| Wiley ID | 822015 |