| SpectraBase Compound ID | J8EECILmSL6 |
|---|---|
| InChI | InChI=1S/C7H12N2O4/c1-4(10)5(9-7(12)13)2-3-6(8)11/h5,9H,2-3H2,1H3,(H2,8,11)(H,12,13) |
| InChIKey | QDZIAHUSJGLVDH-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C7H12N2O4 |
| Exact Mass | 188.079707 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8eATusCgQLD |
|---|---|
| Name | N^2-Acetyl-L-(-)glutamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.079706870 u |
| Formula | C7H12N2O4 |
| InChI | InChI=1S/C7H12N2O4/c1-4(10)5(9-7(12)13)2-3-6(8)11/h5,9H,2-3H2,1H3,(H2,8,11)(H,12,13) |
| InChIKey | QDZIAHUSJGLVDH-UHFFFAOYSA-N |
| Molecular Weight | 188.183 g/mol |
| SMILES | [NH3+]C(CCC(C(C)=O)NC(=O)[O-])=O |
| Spectrum/Structure Validation Score (Raman) | 0.809571 |