| SpectraBase Compound ID | qHWqw6ah1 |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-6(10)9-5-7(11)3-4-8(12)13-2/h3-5H2,1-2H3,(H,9,10) |
| InChIKey | ODTLWRJIPVEESK-UHFFFAOYSA-N |
| Mol Weight | 187.19 g/mol |
| Molecular Formula | C8H13NO4 |
| Exact Mass | 187.084458 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7NQBbnMTUSM |
|---|---|
| Name | 5-Acetamidolevulinic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.084457899 u |
| Formula | C8H13NO4 |
| InChI | InChI=1S/C8H13NO4/c1-6(10)9-5-7(11)3-4-8(12)13-2/h3-5H2,1-2H3,(H,9,10) |
| InChIKey | ODTLWRJIPVEESK-UHFFFAOYSA-N |
| SMILES | N(C(C)=O)CC(CCC(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.985072 |