| SpectraBase Compound ID | BstU122lXem |
|---|---|
| InChI | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3 |
| InChIKey | CTQNGGLPUBDAKN-FIBGUPNXSA-N |
| Mol Weight | 109.19 g/mol |
| Molecular Formula | C8H7D3 |
| Exact Mass | 109.097081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GhZZJgVOpMD |
|---|---|
| Name | 1-Methyl-2-(trideuteriomethyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7D3 |
| InChI | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3 |
| InChIKey | CTQNGGLPUBDAKN-FIBGUPNXSA-N |
| Molecular Weight | 109.186 g/mol |
| SMILES | c1(c(C)cccc1)C([D])([D])[D] |
| SPLASH | splash10-052f-9400000000-af39009a32d2ac61e07c |
| Source of Spectrum | C-117-9429-fig.4/cpd.B |
| Synonyms | Trideuterio-o-xylene |
| Wiley ID | 1698047 |