| SpectraBase Compound ID | 9kKyoWmT8u6 |
|---|---|
| InChI | InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | KSZFSNZOGAXEGH-BYPYZUCNSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C6H12N2O3 |
| Exact Mass | 160.084792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FI5Oc1hiwaO |
|---|---|
| Name | N-Methyl-L-glutamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.084792251 u |
| Formula | C6H12N2O3 |
| InChI | InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | KSZFSNZOGAXEGH-BYPYZUCNSA-N |
| Molecular Weight | 160.173 g/mol |
| SMILES | C(=O)(O)[C@@](NC)(CCC(=O)N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930929 |