| SpectraBase Compound ID | FiEGsdqssb0 |
|---|---|
| InChI | InChI=1S/C6H13NO4/c1-4(2)6(9)5(3-8)7(10)11/h4-6,8-9H,3H2,1-2H3 |
| InChIKey | DKNHIOSPKGDBRB-UHFFFAOYSA-N |
| Mol Weight | 163.17 g/mol |
| Molecular Formula | C6H13NO4 |
| Exact Mass | 163.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CfXJsifKnph |
|---|---|
| Name | 1,3-Pentanediol, 4-methyl-2-nitro- |
| CAS Registry Number | 96040-05-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H13NO4 |
| InChI | InChI=1S/C6H13NO4/c1-4(2)6(9)5(3-8)7(10)11/h4-6,8-9H,3H2,1-2H3 |
| InChIKey | DKNHIOSPKGDBRB-UHFFFAOYSA-N |
| Molecular Weight | 163.173 g/mol |
| SMILES | OCC(C(O)C(C)C)N(=O)=O |
| SPLASH | splash10-0596-9000000000-0c75ed2e12607a24e08b |
| Synonyms | 4-Methyl-2-nitro-pentane-1,3-diol |
| Wiley ID | 1477601 |