| SpectraBase Compound ID | 1JbJHEyOkIH |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16) |
| InChIKey | HOBFSNNENNQQIU-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fYCP7FLzMG |
|---|---|
| Name | Tert-butoxycarbonylamino-phenyl-acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16) |
| InChIKey | HOBFSNNENNQQIU-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C(NC(C(=O)O)C1=CC=CC=C1)(OC(C)(C)C)=O |