| SpectraBase Compound ID | 5j6lLSFAjd7 |
|---|---|
| InChI | InChI=1S/C14H18N2O2/c1-2-18-14(17)8-11(15)7-10-9-16-13-6-4-3-5-12(10)13/h3-6,9,11,16H,2,7-8,15H2,1H3/t11-/m0/s1 |
| InChIKey | PRQNJHUKVQSAOV-NSHDSACASA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C14H18N2O2 |
| Exact Mass | 246.136828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43kTvkTCF89 |
|---|---|
| Name | rac-3-Amino-4-(1H-3-indolyl)butanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.136827826 u |
| Formula | C14H18N2O2 |
| InChI | InChI=1S/C14H18N2O2/c1-2-18-14(17)8-11(15)7-10-9-16-13-6-4-3-5-12(10)13/h3-6,9,11,16H,2,7-8,15H2,1H3/t11-/m0/s1 |
| InChIKey | PRQNJHUKVQSAOV-NSHDSACASA-N |
| Molecular Weight | 246.310 g/mol |
| SMILES | C1(=CNC=2C1=CC=CC2)C[C@@](CC(=O)OCC)(N)[H] |