![2-{alpha-[mercapto(m-toluidino)methylene]phenacyl}isoquinolinium hydroxide, inner salt](/api/spectrum/1Wx9ri3wg8Z/structure.png?h=300&w=458 "2-{alpha-[mercapto(m-toluidino)methylene]phenacyl}isoquinolinium hydroxide, inner salt")
| SpectraBase Compound ID | BMkap9rjOct |
|---|---|
| InChI | InChI=1S/C25H20N2OS/c1-18-8-7-13-22(16-18)26-25(29)23(24(28)20-10-3-2-4-11-20)27-15-14-19-9-5-6-12-21(19)17-27/h2-17H,1H3,(H-,26,28,29) |
| InChIKey | YKDUZFVYSWKGHU-UHFFFAOYSA-N |
| Mol Weight | 396.51 g/mol |
| Molecular Formula | C25H20N2OS |
| Exact Mass | 396.129634 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Wx9ri3wg8Z |
|---|---|
| Name | 2-{alpha-[mercapto(m-toluidino)methylene]phenacyl}isoquinolinium hydroxide, inner salt |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H20N2OS |
| InChI | InChI=1S/C25H20N2OS/c1-18-8-7-13-22(16-18)26-25(29)23(24(28)20-10-3-2-4-11-20)27-15-14-19-9-5-6-12-21(19)17-27/h2-17H,1H3,(H-,26,28,29) |
| InChIKey | YKDUZFVYSWKGHU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 51972M |
| Solvent | CDCl3 |