![7,14-bis(p-tolylsulfonyl)-6,7,8,9,10,11,12,13,1,4,15-decahydro-2,2-dimethyl-16,5-(nitrilometheo)-4H-1,3-dioxino[4,5-d][1,8]diazacyclotridecine](/api/spectrum/5MHfkEQrMwt/structure.png?h=300&w=458 "7,14-bis(p-tolylsulfonyl)-6,7,8,9,10,11,12,13,1,4,15-decahydro-2,2-dimethyl-16,5-(nitrilometheo)-4H-1,3-dioxino[4,5-d][1,8]diazacyclotridecine")
| SpectraBase Compound ID | D7X89ZWY8vd |
|---|---|
| InChI | InChI=1S/C31H39N3O6S2/c1-23-9-13-26(14-10-23)41(35,36)33-17-7-5-6-8-18-34(42(37,38)27-15-11-24(2)12-16-27)21-29-30-28(25(20-33)19-32-29)22-39-31(3,4)40-30/h9-16,19H,5-8,17-18,20-22H2,1-4H3 |
| InChIKey | KJGQOXUFLWKYMG-UHFFFAOYSA-N |
| Mol Weight | 613.8 g/mol |
| Molecular Formula | C31H39N3O6S2 |
| Exact Mass | 613.228028 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MHfkEQrMwt |
|---|---|
| Name | 7,14-bis(p-tolylsulfonyl)-6,7,8,9,10,11,12,13,1,4,15-decahydro-2,2-dimethyl-16,5-(nitrilometheo)-4H-1,3-dioxino[4,5-d][1,8]diazacyclotridecine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H39N3O6S2 |
| InChI | InChI=1S/C31H39N3O6S2/c1-23-9-13-26(14-10-23)41(35,36)33-17-7-5-6-8-18-34(42(37,38)27-15-11-24(2)12-16-27)21-29-30-28(25(20-33)19-32-29)22-39-31(3,4)40-30/h9-16,19H,5-8,17-18,20-22H2,1-4H3 |
| InChIKey | KJGQOXUFLWKYMG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41524M |
| Solvent | CDCl3 |