| SpectraBase Compound ID | 3EVUPVfKVBd |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3/i1D3,4D2 |
| InChIKey | QWHNMIXUSPUHGO-SGEUAGPISA-N |
| Mol Weight | 164.22 g/mol |
| Molecular Formula | C7H8D5NO3 |
| Exact Mass | 164.120927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1JO2MSAwxgz |
|---|---|
| Name | 1,1,1,3,3-Pentadeutero-5-methyl-5-nitro-2-hexanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8D5NO3 |
| InChI | InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3/i1D3,4D2 |
| InChIKey | QWHNMIXUSPUHGO-SGEUAGPISA-N |
| Molecular Weight | 164.216 g/mol |
| SMILES | C(N(=O)=O)(CC(C(=O)C([D])([D])[D])([D])[D])(C)C |
| SPLASH | splash10-0002-9000000000-83a937cb316b31bea0aa |
| Source of Spectrum | O-27-741-0 |
| Wiley ID | 1156104 |