| SpectraBase Compound ID | IdorUUNG58T |
|---|---|
| InChI | InChI=1S/C8H15NO4/c1-2-3-4-9-6(8(12)13)5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13) |
| InChIKey | YNXVOMLTCHOPDJ-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C8H15NO4 |
| Exact Mass | 189.100108 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2OhYYfZOWyz |
|---|---|
| Name | dl-N-Butylaspartic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.100107963 u |
| Formula | C8H15NO4 |
| InChI | InChI=1S/C8H15NO4/c1-2-3-4-9-6(8(12)13)5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13) |
| InChIKey | YNXVOMLTCHOPDJ-UHFFFAOYSA-N |
| Molecular Weight | 189.211 g/mol |
| SMILES | N(C(C(O)=O)CC(O)=O)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.876424 |