| SpectraBase Compound ID | JF1NFtlKpJa |
|---|---|
| InChI | InChI=1S/C12H18ClN/c1-3-10(2)8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3 |
| InChIKey | LSDJTGHZDPICQC-UHFFFAOYSA-N |
| Mol Weight | 211.74 g/mol |
| Molecular Formula | C12H18ClN |
| Exact Mass | 211.112777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMrH2mguw44 |
|---|---|
| Name | N-(2-Methylbutyl)-4-chlorobenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.112777284 u |
| Formula | C12H18ClN |
| InChI | InChI=1S/C12H18ClN/c1-3-10(2)8-14-9-11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3 |
| InChIKey | LSDJTGHZDPICQC-UHFFFAOYSA-N |
| Molecular Weight | 211.736 g/mol |
| SMILES | C=1(CNCC(CC)C)C=CC(=CC1)Cl |