| SpectraBase Compound ID | HdMwIZKfI15 |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1 |
| InChIKey | DUVVFMLAHWNDJD-VIFPVBQESA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yzYt4jKI7F |
|---|---|
| Name | D-beta-Homotryptophan- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1 |
| InChIKey | DUVVFMLAHWNDJD-VIFPVBQESA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C([C@@](CC(O)=O)(N)[H])C=1C2=C(C=CC=C2)NC1 |