![5-Methyl-5-nitro[3-D]hexan-2-one](/api/spectrum/BGGoKo6D9V2/structure.png?h=300&w=458 "5-Methyl-5-nitro[3-D]hexan-2-one")
| SpectraBase Compound ID | 1qqQsXwRtM2 |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3/i4D |
| InChIKey | QWHNMIXUSPUHGO-QYKNYGDISA-N |
| Mol Weight | 160.19 g/mol |
| Molecular Formula | C7H12DNO3 |
| Exact Mass | 160.09582 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BGGoKo6D9V2 |
|---|---|
| Name | 5-Methyl-5-nitro[3-D]hexan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12DNO3 |
| InChI | InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3/i4D |
| InChIKey | QWHNMIXUSPUHGO-QYKNYGDISA-N |
| Molecular Weight | 160.191 g/mol |
| SMILES | C(N(=O)=O)(CC(C(=O)C)[D])(C)C |
| SPLASH | splash10-0006-9000000000-d2d3347116e6d9f07d9d |
| Source of Spectrum | F-66-3619-1h |
| Wiley ID | 1683930 |