| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFLxj3ATAog |
|---|---|
| Name | 4-Methyl-2-nitro-1,3-pentanediol |
| CAS Registry Number | 96040-05-0 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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 |
| Literature Reference | M. Eyer, D. Seebach, J. Am. Chem. Soc. 107, 3601 (1985). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |