| SpectraBase Compound ID | 9i1CEm3PnEZ |
|---|---|
| InChI | InChI=1S/C12H14N4O2/c13-12(14)16-10(11(17)18)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6,10,15H,5H2,(H,17,18)(H4,13,14,16) |
| InChIKey | RYFSJWIBAFHMRL-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C12H14N4O2 |
| Exact Mass | 246.111676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsMo07GWBSM |
|---|---|
| Name | Guanido-dl-tryptophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.111675705 u |
| Formula | C12H14N4O2 |
| InChI | InChI=1S/C12H14N4O2/c13-12(14)16-10(11(17)18)5-7-6-15-9-4-2-1-3-8(7)9/h1-4,6,10,15H,5H2,(H,17,18)(H4,13,14,16) |
| InChIKey | RYFSJWIBAFHMRL-UHFFFAOYSA-N |
| Molecular Weight | 246.270 g/mol |
| SMILES | C12=C(C=CC=C2)C(CC(C(O)=O)NC(=N)N)=CN1 |