| SpectraBase Compound ID | LZ7TCt0ILFI |
|---|---|
| InChI | InChI=1S/C13H18N4/c1-16-12-5-3-2-4-11(12)15-13(16)10-17-8-6-14-7-9-17/h2-5,14H,6-10H2,1H3 |
| InChIKey | INOLAFWTZVYAEE-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C13H18N4 |
| Exact Mass | 230.153147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFE8WXWAGSu |
|---|---|
| Name | 1-Methyl-2-(piperazin-1-ylmethyl)-1,3-benzodiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.153146596 u |
| Formula | C13H18N4 |
| InChI | InChI=1S/C13H18N4/c1-16-12-5-3-2-4-11(12)15-13(16)10-17-8-6-14-7-9-17/h2-5,14H,6-10H2,1H3 |
| InChIKey | INOLAFWTZVYAEE-UHFFFAOYSA-N |
| Molecular Weight | 230.315 g/mol |
| SMILES | C1(=NC=2C=CC=CC2N1C)CN1CCNCC1 |