| SpectraBase Compound ID | BtV0GuU7p3a |
|---|---|
| InChI | InChI=1S/C15H16N2O4/c18-14(19)13(8-12-6-7-16-9-12)17-15(20)21-10-11-4-2-1-3-5-11/h1-7,9,13,16H,8,10H2,(H,17,20)(H,18,19) |
| InChIKey | HRCKDEQRTCDDSG-UHFFFAOYSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C15H16N2O4 |
| Exact Mass | 288.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FI1j023tqTH |
|---|---|
| Name | 2-Amino-3-(3-pyrrolyl)propionic acid, N-benzyloxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.111006999 u |
| Formula | C15H16N2O4 |
| InChI | InChI=1S/C15H16N2O4/c18-14(19)13(8-12-6-7-16-9-12)17-15(20)21-10-11-4-2-1-3-5-11/h1-7,9,13,16H,8,10H2,(H,17,20)(H,18,19) |
| InChIKey | HRCKDEQRTCDDSG-UHFFFAOYSA-N |
| SMILES | C=1(C=CNC1)CC(C(O)=O)NC(=O)OCC1=CC=CC=C1 |