| SpectraBase Compound ID | HVBL3YmCb2f |
|---|---|
| InChI | InChI=1S/C12H21N2O.HI/c1-5-14(6-2)12-10-11(15-4)8-7-9-13(12)3;/h7-9H,5-6,10H2,1-4H3;1H/q+1;/p-1 |
| InChIKey | RDYTYYFYJBILHI-UHFFFAOYSA-M |
| Mol Weight | 336.21747 g/mol |
| Molecular Formula | C12H21IN2O |
| Exact Mass | 336.069858 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Qq9FG0DsQa |
|---|---|
| Name | 2-(diethylamino)-4-methoxy-1-methyl-3H-azepinium iodide |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H21IN2O |
| InChI | InChI=1S/C12H21N2O.HI/c1-5-14(6-2)12-10-11(15-4)8-7-9-13(12)3;/h7-9H,5-6,10H2,1-4H3;1H/q+1;/p-1 |
| InChIKey | RDYTYYFYJBILHI-UHFFFAOYSA-M |
| Instrument Name | Varian A-60 |
| Polar Surface Area Predicted | 15.48 |
| Sadtler NMR Number | 22267M |
| Solvent | Polysol |