| SpectraBase Compound ID | 47X1g8lPRjD |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-5(4-8(10)11)6(2)7(9)12-3/h5-6H,4H2,1-3H3 |
| InChIKey | UOYSUXLBJIETDY-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C4VuCBfxSCl |
|---|---|
| Name | 2,3-DIMETHYL-4-NITROBUTYRIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-5(4-8(10)11)6(2)7(9)12-3/h5-6H,4H2,1-3H3 |
| InChIKey | UOYSUXLBJIETDY-UHFFFAOYSA-N |
| Molecular Weight | 175.0841 |
| SMILES | COC(C(C(CN(=O)=O)C)C)=O |
| SPLASH | splash10-05mo-9100000000-6fa425cfe805ab7bbfe7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |