![hexadecyl[o-methoxy-alpha-(methylthio)benzylidene]methylammonium iodide](/api/spectrum/8h6KyNY09xW/structure.png?h=300&w=458 "hexadecyl[o-methoxy-alpha-(methylthio)benzylidene]methylammonium iodide")
| SpectraBase Compound ID | 7nFsVJXdB96 |
|---|---|
| InChI | InChI=1S/C26H46NOS.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27(2)26(29-4)24-21-18-19-22-25(24)28-3;/h18-19,21-22H,5-17,20,23H2,1-4H3;1H/q+1;/p-1/b27-26-; |
| InChIKey | HQQRGBFDIHVEPL-JTHROIFXSA-M |
| Mol Weight | 547.6 g/mol |
| Molecular Formula | C26H46INOS |
| Exact Mass | 547.234481 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8h6KyNY09xW |
|---|---|
| Name | hexadecyl[o-methoxy-alpha-(methylthio)benzylidene]methylammonium iodide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H46INOS |
| InChI | InChI=1S/C26H46NOS.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27(2)26(29-4)24-21-18-19-22-25(24)28-3;/h18-19,21-22H,5-17,20,23H2,1-4H3;1H/q+1;/p-1/b27-26-; |
| InChIKey | HQQRGBFDIHVEPL-JTHROIFXSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 39622M |
| Solvent | CDCl3 |