| SpectraBase Compound ID | LBD9snv4r6Y |
|---|---|
| InChI | InChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15) |
| InChIKey | KLULAEAPTZQZMV-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C10H15N5O |
| Exact Mass | 221.12766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ChZPgx2pBU |
|---|---|
| Name | 1-(4-Methoxybenzyl)biguanidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.127660122 u |
| Formula | C10H15N5O |
| InChI | InChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15) |
| InChIKey | KLULAEAPTZQZMV-UHFFFAOYSA-N |
| Molecular Weight | 221.264 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)CNC(NC(N)=N)=N |