| SpectraBase Compound ID | 4Jehw6Idsrg |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-17-12(16)10(13)7-11(15)14-8-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,15) |
| InChIKey | MUJCGOQOFJQDKD-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzLIwuuws3q |
|---|---|
| Name | Asparagine, N-benzyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-17-12(16)10(13)7-11(15)14-8-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,15) |
| InChIKey | MUJCGOQOFJQDKD-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(=O)(CC(C(OC)=O)N)NCC1=CC=CC=C1 |