![2-Pyrimidinamine, N-[(4-chlorophenyl)phenylmethyl]-](/api/spectrum/Kz9rCBjIOfG/structure.png?h=300&w=458 "2-Pyrimidinamine, N-[(4-chlorophenyl)phenylmethyl]-")
| SpectraBase Compound ID | Ar1OqQs2g2N |
|---|---|
| InChI | InChI=1S/C17H14ClN3/c18-15-9-7-14(8-10-15)16(13-5-2-1-3-6-13)21-17-19-11-4-12-20-17/h1-12,16H,(H,19,20,21) |
| InChIKey | GPHZVPBSNVBTFV-UHFFFAOYSA-N |
| Mol Weight | 295.77 g/mol |
| Molecular Formula | C17H14ClN3 |
| Exact Mass | 295.087625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kz9rCBjIOfG |
|---|---|
| Name | 2-Pyrimidinamine, N-[(4-chlorophenyl)phenylmethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.087625163 u |
| Formula | C17H14ClN3 |
| InChI | InChI=1S/C17H14ClN3/c18-15-9-7-14(8-10-15)16(13-5-2-1-3-6-13)21-17-19-11-4-12-20-17/h1-12,16H,(H,19,20,21) |
| InChIKey | GPHZVPBSNVBTFV-UHFFFAOYSA-N |
| SMILES | N(C1=NC=CC=N1)C(C1=CC=C(C=C1)Cl)C1=CC=CC=C1 |