| SpectraBase Compound ID | 5QV3KklsruU |
|---|---|
| InChI | InChI=1S/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-8-6-5-7-10(11)16(19)20/h5-9H,1-4H3,(H,15,18) |
| InChIKey | HTOLGALQDYWXST-UHFFFAOYSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C14H18N2O6 |
| Exact Mass | 310.116486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7uMDRnhF2C |
|---|---|
| Name | N-Carboxy-L-alanine, N-tert-butyl o-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.116486302 u |
| Formula | C14H18N2O6 |
| InChI | InChI=1S/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-8-6-5-7-10(11)16(19)20/h5-9H,1-4H3,(H,15,18) |
| InChIKey | HTOLGALQDYWXST-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC=CC1OC(C(NC(OC(C)(C)C)=O)C)=O |