| SpectraBase Compound ID | 1BQjeLcaZDO |
|---|---|
| InChI | InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1 |
| InChIKey | VQPVVWAFTIFKDD-LURJTMIESA-N |
| Mol Weight | 199.21 g/mol |
| Molecular Formula | C8H13N3O3 |
| Exact Mass | 199.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQzXPfqge57 |
|---|---|
| Name | Gamma-L-glutamyl-beta-aminopropionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.095691288 u |
| Formula | C8H13N3O3 |
| InChI | InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1 |
| InChIKey | VQPVVWAFTIFKDD-LURJTMIESA-N |
| Molecular Weight | 199.210 g/mol |
| SMILES | N(CCC#N)C(CC[C@@](C(O)=O)(N)[H])=O |