| SpectraBase Compound ID | 3TehQu2WUn1 |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-5(4-8(11)12)3-7(10)6(2)9/h5H,3-4H2,1-2H3 |
| InChIKey | UPTLDXKMSPMXNO-UHFFFAOYSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fwx4gElzImm |
|---|---|
| Name | 5-Methyl-6-nitro-hexane-2,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-5(4-8(11)12)3-7(10)6(2)9/h5H,3-4H2,1-2H3 |
| InChIKey | UPTLDXKMSPMXNO-UHFFFAOYSA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | C(N(=O)=O)C(CC(C(=O)C)=O)C |
| SPLASH | splash10-0006-9000000000-531b87043bfaa25ddb9a |
| Source of Spectrum | SO-0-245-6 |
| Wiley ID | 873405 |