| SpectraBase Compound ID | 66COLAfPWHw |
|---|---|
| InChI | InChI=1S/C12H16ClN/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3/b14-12- |
| InChIKey | KZFHTXUINKUCFW-OWBHPGMISA-N |
| Mol Weight | 209.72 g/mol |
| Molecular Formula | C12H16ClN |
| Exact Mass | 209.097127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZPKanttr8i |
|---|---|
| Name | N-Butylbenzimidoyl chloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.097127219 u |
| Formula | C12H16ClN |
| InChI | InChI=1S/C12H16ClN/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3/b14-12- |
| InChIKey | KZFHTXUINKUCFW-OWBHPGMISA-N |
| Molecular Weight | 209.720 g/mol |
| SMILES | C1=CC=CC=C1\C(Cl)=N\CCCCC |