| SpectraBase Compound ID | IAWww36yVfZ |
|---|---|
| InChI | InChI=1S/C12H16N2O2/c13-11(12(15)16)7-4-8-14-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8,13H2,(H,15,16)/b14-9+/t11-/m0/s1 |
| InChIKey | HOQLJYXXTOQFCE-LUHPIMIVSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C12H16N2O2 |
| Exact Mass | 220.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GXfiKvi3BP |
|---|---|
| Name | Benzylidene-L-ornithine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.121177761 u |
| Formula | C12H16N2O2 |
| InChI | InChI=1S/C12H16N2O2/c13-11(12(15)16)7-4-8-14-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8,13H2,(H,15,16)/b14-9+/t11-/m0/s1 |
| InChIKey | HOQLJYXXTOQFCE-LUHPIMIVSA-N |
| Molecular Weight | 220.272 g/mol |
| SMILES | C(CC[C@@](C(O)=O)(N)[H])\N=C\C1=CC=CC=C1 |