| SpectraBase Compound ID | 3OKBaiIx3in |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-2-3-6-9-7(10)4-5-8(11)12/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12)/b5-4- |
| InChIKey | BEWIWYDBTBVVIA-PLNGDYQASA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KsbOKDI6sQ |
|---|---|
| Name | N-Butylmaleamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c1-2-3-6-9-7(10)4-5-8(11)12/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12)/b5-4- |
| InChIKey | BEWIWYDBTBVVIA-PLNGDYQASA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | N(C(\C=C/C(O)=O)=O)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.930338 |