| SpectraBase Compound ID | Gjj4iAGNUxy |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-7(10)5-4-6-8(2,3)9(11)12/h4-6H2,1-3H3 |
| InChIKey | YDDRSEAXBFZBSN-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C8H15NO3 |
| Exact Mass | 173.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRFHwdvebW |
|---|---|
| Name | 6-Methyl-6-nitroheptan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.105193344 u |
| Formula | C8H15NO3 |
| InChI | InChI=1S/C8H15NO3/c1-7(10)5-4-6-8(2,3)9(11)12/h4-6H2,1-3H3 |
| InChIKey | YDDRSEAXBFZBSN-UHFFFAOYSA-N |
| Molecular Weight | 173.212 g/mol |
| SMILES | C(=O)(C)CCCC(N(=O)=O)(C)C |