| SpectraBase Compound ID | 5FyFNqWfTZZ |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-3-6(8(11)12)5(2)4-7(9)10/h3,5H,4H2,1-2H3,(H,9,10)/b6-3- |
| InChIKey | OUPZNRRRONTCTN-UTCJRWHESA-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 | FHDEryUQ77v |
|---|---|
| Name | 3-METHYL-4-NITROHEX-4-ENOIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-3-6(8(11)12)5(2)4-7(9)10/h3,5H,4H2,1-2H3,(H,9,10)/b6-3- |
| InChIKey | OUPZNRRRONTCTN-UTCJRWHESA-N |
| Molecular Weight | 173.0685 |
| SMILES | OC(=O)CC(C)\C(N(=O)=O)=C\C |
| SPLASH | splash10-002u-9100000000-392389057ba4c6eeca73 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |