| SpectraBase Compound ID | IxPqr4U8Xrh |
|---|---|
| InChI | InChI=1S/C12H18ClN/c1-2-3-8-14-9-7-11-5-4-6-12(13)10-11/h4-6,10,14H,2-3,7-9H2,1H3 |
| InChIKey | XNZSCGMKWUKXBK-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 | AkWIiYJHuiT |
|---|---|
| Name | N-Butyl-3-chlorophenethylamine |
| 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/c1-2-3-8-14-9-7-11-5-4-6-12(13)10-11/h4-6,10,14H,2-3,7-9H2,1H3 |
| InChIKey | XNZSCGMKWUKXBK-UHFFFAOYSA-N |
| Molecular Weight | 211.736 g/mol |
| SMILES | C=1(C=C(C=CC1)Cl)CCNCCCC |