![7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine](/api/spectrum/8kgB7AqqkVW/structure.png?h=300&w=458 "7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine")
| SpectraBase Compound ID | Iks6LyqDm68 |
|---|---|
| InChI | InChI=1S/C35H47N3O6S2/c1-27-13-17-30(18-14-27)45(39,40)37-21-11-9-7-5-6-8-10-12-22-38(46(41,42)31-19-15-28(2)16-20-31)25-33-34-32(29(24-37)23-36-33)26-43-35(3,4)44-34/h13-20,23H,5-12,21-22,24-26H2,1-4H3 |
| InChIKey | YXLHTUJJBPXDOO-UHFFFAOYSA-N |
| Mol Weight | 669.9 g/mol |
| Molecular Formula | C35H47N3O6S2 |
| Exact Mass | 669.290629 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kgB7AqqkVW |
|---|---|
| Name | 7,18-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17,18,19-tetradecahydro-20,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclooctadecine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H47N3O6S2 |
| InChI | InChI=1S/C35H47N3O6S2/c1-27-13-17-30(18-14-27)45(39,40)37-21-11-9-7-5-6-8-10-12-22-38(46(41,42)31-19-15-28(2)16-20-31)25-33-34-32(29(24-37)23-36-33)26-43-35(3,4)44-34/h13-20,23H,5-12,21-22,24-26H2,1-4H3 |
| InChIKey | YXLHTUJJBPXDOO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41527M |
| Solvent | CDCl3 |