| SpectraBase Compound ID | EoDWpIdVSFy |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-7(6-10)4-5-8(2,3)9(11)12/h6-7H,4-5H2,1-3H3 |
| InChIKey | VHCPKNPYYJDMIF-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C8H15NO3 |
| Exact Mass | 173.105193 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | SMQaZwcn1I |
|---|---|
| Name | 2,5-Dimethyl-5-nitrohexanal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H15NO3 |
| InChI | InChI=1S/C8H15NO3/c1-7(6-10)4-5-8(2,3)9(11)12/h6-7H,4-5H2,1-3H3 |
| InChIKey | VHCPKNPYYJDMIF-UHFFFAOYSA-N |
| Molecular Weight | 173.212 g/mol |
| SMILES | C(N(=O)=O)(CCC(C=O)C)(C)C |
| SPLASH | splash10-052f-9000000000-bc82674047b940828f25 |
| Source of Spectrum | O-27-741-0 |
| Wiley ID | 1169722 |