![[3-(1H-1,3-Benzodiazol-2-yl)propyl][(4-chlorophenyl)methyl]amine](/api/spectrum/9EJ2lrq76dG/structure.png?h=300&w=458 "[3-(1H-1,3-Benzodiazol-2-yl)propyl][(4-chlorophenyl)methyl]amine")
| SpectraBase Compound ID | C9aT2exyjZi |
|---|---|
| InChI | InChI=1S/C17H18ClN3/c18-14-9-7-13(8-10-14)12-19-11-3-6-17-20-15-4-1-2-5-16(15)21-17/h1-2,4-5,7-10,19H,3,6,11-12H2,(H,20,21) |
| InChIKey | NDLVRBXFWWAUTQ-UHFFFAOYSA-N |
| Mol Weight | 299.81 g/mol |
| Molecular Formula | C17H18ClN3 |
| Exact Mass | 299.118925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EJ2lrq76dG |
|---|---|
| Name | [3-(1H-1,3-Benzodiazol-2-yl)propyl][(4-chlorophenyl)methyl]amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.118925292 u |
| Formula | C17H18ClN3 |
| InChI | InChI=1S/C17H18ClN3/c18-14-9-7-13(8-10-14)12-19-11-3-6-17-20-15-4-1-2-5-16(15)21-17/h1-2,4-5,7-10,19H,3,6,11-12H2,(H,20,21) |
| InChIKey | NDLVRBXFWWAUTQ-UHFFFAOYSA-N |
| SMILES | C(CNCC=1C=CC(=CC1)Cl)CC=1NC2=CC=CC=C2N1 |