| SpectraBase Compound ID | LTlyEe7MCJ6 |
|---|---|
| InChI | InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i1D,4D,5D |
| InChIKey | ZBRDJMFLJXFIGJ-NHPOFCFZSA-N |
| Mol Weight | 148.18 g/mol |
| Molecular Formula | C9H4D3NO |
| Exact Mass | 148.071594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B8t12UAq2mK |
|---|---|
| Name | 3-(2,4,6-D3)Phenylisoxazole |
| CAS Registry Number | 23253-52-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H4D3NO |
| InChI | InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i1D,4D,5D |
| InChIKey | ZBRDJMFLJXFIGJ-NHPOFCFZSA-N |
| Molecular Weight | 148.179 g/mol |
| SMILES | c1(nocc1)-c1c(cc(cc1[D])[D])[D] |
| SPLASH | splash10-000t-9500000000-079610ccc0cf6e2a4bf7 |
| Source of Spectrum | B-22-564-3 |
| Wiley ID | 8953 |