| SpectraBase Compound ID | 4jGmskcejuu |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-5(2)7(9(11)12)8(10)6(3)4/h5-7H,1-4H3 |
| InChIKey | MOADJHPMFUMYQC-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 | IlhZuSEGSyy |
|---|---|
| Name | 3-HEXANONE, 2,5-DIMETHYL-4-NITRO- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H15NO3 |
| InChI | InChI=1S/C8H15NO3/c1-5(2)7(9(11)12)8(10)6(3)4/h5-7H,1-4H3 |
| InChIKey | MOADJHPMFUMYQC-UHFFFAOYSA-N |
| Molecular Weight | 173.1048 |
| SMILES | CC(C(C(C(C)C)N(=O)=O)=O)C |
| SPLASH | splash10-006x-9000000000-f55b706a4d1b88a1753a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |