| SpectraBase Compound ID | QJS6MUTRsW |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-4-7(10)5-6-8(2,3)9(11)12/h4-6H2,1-3H3/i1D3,4D2 |
| InChIKey | OFWDOBHRXFXQJT-SGEUAGPISA-N |
| Mol Weight | 178.24 g/mol |
| Molecular Formula | C8H10D5NO3 |
| Exact Mass | 178.136577 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2o47zfGTYW |
|---|---|
| Name | 1,1,1,2,2-Pentadeutero-6-methyl-6-nitro-3-heptanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H10D5NO3 |
| InChI | InChI=1S/C8H15NO3/c1-4-7(10)5-6-8(2,3)9(11)12/h4-6H2,1-3H3/i1D3,4D2 |
| InChIKey | OFWDOBHRXFXQJT-SGEUAGPISA-N |
| Molecular Weight | 178.243 g/mol |
| SMILES | C(N(=O)=O)(CCC(=O)C(C([D])([D])[D])([D])[D])(C)C |
| SPLASH | splash10-02td-9200000000-23fbe83689b6cc233987 |
| Source of Spectrum | O-27-741-0 |
| Wiley ID | 1169727 |