| SpectraBase Compound ID | Jz94BBW8E8I |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-3-7(10)6(2)8(11)4-5-9(12)13/h6H,3-5H2,1-2H3 |
| InChIKey | HVXSMBVGUWLSCW-UHFFFAOYSA-N |
| Mol Weight | 187.19 g/mol |
| Molecular Formula | C8H13NO4 |
| Exact Mass | 187.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GIr1TYdtZos |
|---|---|
| Name | 3,5-HEPTANEDIONE, 4-METHYL-1-NITRO- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H13NO4 |
| InChI | InChI=1S/C8H13NO4/c1-3-7(10)6(2)8(11)4-5-9(12)13/h6H,3-5H2,1-2H3 |
| InChIKey | HVXSMBVGUWLSCW-UHFFFAOYSA-N |
| Molecular Weight | 187.0841 |
| SMILES | CCC(C(C(CCN(=O)=O)=O)C)=O |
| SPLASH | splash10-0a4i-9100000000-36c23f9c1fecdf812b53 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |