![7,16-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-18,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclohexadecine](/api/spectrum/Hp2lXtlLjmW/structure.png?h=300&w=458 "7,16-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-18,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclohexadecine")
| SpectraBase Compound ID | KQ5xQqBAmU |
|---|---|
| InChI | InChI=1S/C33H43N3O6S2/c1-25-11-15-28(16-12-25)43(37,38)35-19-9-7-5-6-8-10-20-36(44(39,40)29-17-13-26(2)14-18-29)23-31-32-30(27(22-35)21-34-31)24-41-33(3,4)42-32/h11-18,21H,5-10,19-20,22-24H2,1-4H3 |
| InChIKey | QMKWTLZEDHSBCQ-UHFFFAOYSA-N |
| Mol Weight | 641.8 g/mol |
| Molecular Formula | C33H43N3O6S2 |
| Exact Mass | 641.259328 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hp2lXtlLjmW |
|---|---|
| Name | 7,16-bis(p-tolylsulfonyl)-2,2-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-18,5-(nitrilometheno)-4H-1,3-dioxino[4,5-d][1,8]diazacyclohexadecine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H43N3O6S2 |
| InChI | InChI=1S/C33H43N3O6S2/c1-25-11-15-28(16-12-25)43(37,38)35-19-9-7-5-6-8-10-20-36(44(39,40)29-17-13-26(2)14-18-29)23-31-32-30(27(22-35)21-34-31)24-41-33(3,4)42-32/h11-18,21H,5-10,19-20,22-24H2,1-4H3 |
| InChIKey | QMKWTLZEDHSBCQ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41730M |
| Solvent | CDCl3 |