| SpectraBase Compound ID | FvwjIPdlPCS |
|---|---|
| InChI | InChI=1S/C9H15NO3/c1-6(2)5-10-8(11)4-7(3)9(12)13/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13) |
| InChIKey | RMJQJTBDZKIYFB-UHFFFAOYSA-N |
| Mol Weight | 185.22 g/mol |
| Molecular Formula | C9H15NO3 |
| Exact Mass | 185.105193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KKstfWLwu32 |
|---|---|
| Name | N-Isobutyl-2-methylenesuccinamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.105193344 u |
| Formula | C9H15NO3 |
| InChI | InChI=1S/C9H15NO3/c1-6(2)5-10-8(11)4-7(3)9(12)13/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13) |
| InChIKey | RMJQJTBDZKIYFB-UHFFFAOYSA-N |
| Molecular Weight | 185.223 g/mol |
| SMILES | N(CC(C)C)C(CC(C(=O)O)=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.857015 |