| SpectraBase Compound ID | 3w63mUSEGgI |
|---|---|
| InChI | InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3/i1D3 |
| InChIKey | QSSJZLPUHJDYKF-FIBGUPNXSA-N |
| Mol Weight | 153.2 g/mol |
| Molecular Formula | C9H7D3O2 |
| Exact Mass | 153.08691 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ApwS9NJ8c2A |
|---|---|
| Name | 4-(Trideuteriomethyl)benzoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7D3O2 |
| InChI | InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3/i1D3 |
| InChIKey | QSSJZLPUHJDYKF-FIBGUPNXSA-N |
| Molecular Weight | 153.195 g/mol |
| SMILES | C(c1ccc(cc1)C([D])([D])[D])(=O)OC |
| SPLASH | splash10-0002-9200000000-cdcc808afea1e72579e3 |
| Source of Spectrum | Y1-45-5981-5 |
| Wiley ID | 1622084 |