| SpectraBase Compound ID | 4ZISrYkYFmh |
|---|---|
| InChI | InChI=1S/C18H30ClNO/c1-3-20(4-2)15-9-7-5-6-8-10-16-21-18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | VGRNUXPWKBKNLQ-UHFFFAOYSA-N |
| Mol Weight | 311.9 g/mol |
| Molecular Formula | C18H30ClNO |
| Exact Mass | 311.201592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyM2W6qIwDJ |
|---|---|
| Name | 1-Octanamine, 8-(4-chlorophenoxy)-N,N-diethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.201592289 u |
| Formula | C18H30ClNO |
| InChI | InChI=1S/C18H30ClNO/c1-3-20(4-2)15-9-7-5-6-8-10-16-21-18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | VGRNUXPWKBKNLQ-UHFFFAOYSA-N |
| Molecular Weight | 311.897 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)OCCCCCCCCN(CC)CC |