| SpectraBase Compound ID | I2UnWxDktNz |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-6(2)8(5-10(12)13)9(11)7(3)4/h6-8H,5H2,1-4H3 |
| InChIKey | XAZMUPBPMSUJOB-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IPAxuJqYIGS |
|---|---|
| Name | 2,5-Dimethyl-4-(nitromethyl)hexan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H17NO3 |
| InChI | InChI=1S/C9H17NO3/c1-6(2)8(5-10(12)13)9(11)7(3)4/h6-8H,5H2,1-4H3 |
| InChIKey | XAZMUPBPMSUJOB-UHFFFAOYSA-N |
| Molecular Weight | 187.239 g/mol |
| SMILES | C(N(=O)=O)C(C(=O)C(C)C)C(C)C |
| SPLASH | splash10-00di-9000000000-3f0753f8d649db45086e |
| Source of Spectrum | J-73-9646-6h |
| Wiley ID | 1668819 |