| SpectraBase Compound ID | 689QZOt1Hub |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-17(2,3)21-16(19)7-5-6-12-18-13-14-8-10-15(20-4)11-9-14/h8-11,18H,6,12-13H2,1-4H3 |
| InChIKey | ISKDOSDDDQAXJM-UHFFFAOYSA-N |
| Mol Weight | 289.37 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2coqOi8UXza |
|---|---|
| Name | N-(4-Methoxybenzyl)-5-amino-1-pent-2-ynoic tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-17(2,3)21-16(19)7-5-6-12-18-13-14-8-10-15(20-4)11-9-14/h8-11,18H,6,12-13H2,1-4H3 |
| InChIKey | ISKDOSDDDQAXJM-UHFFFAOYSA-N |
| SMILES | C(C(OC(C)(C)C)=O)#CCCNCC=1C=CC(=CC1)OC |