![5,6,7,8,10,11,12,13,14,19,20,21,22-Dodecahydro-dibenzo-[B,M]-[1,15,8,5,11]-dioxa-thiadiaza-cyclononadecine-water(4:1)](/api/spectrum/7kzw31ghg2C/structure.png?h=300&w=458 "5,6,7,8,10,11,12,13,14,19,20,21,22-Dodecahydro-dibenzo-[B,M]-[1,15,8,5,11]-dioxa-thiadiaza-cyclononadecine-water(4:1)")
| SpectraBase Compound ID | 5VwbinmQQoY |
|---|---|
| InChI | InChI=1S/C22H30N2O2S/c1-3-9-21-19(7-1)17-23-11-15-27-16-12-24-18-20-8-2-4-10-22(20)26-14-6-5-13-25-21/h1-4,7-10,23-24H,5-6,11-18H2 |
| InChIKey | VXDWZULCVAPUHG-UHFFFAOYSA-N |
| Mol Weight | 386.55 g/mol |
| Molecular Formula | C22H30N2O2S |
| Exact Mass | 386.202799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kzw31ghg2C |
|---|---|
| Name | 5,6,7,8,10,11,12,13,14,19,20,21,22-Dodecahydro-dibenzo-[B,M]-[1,15,8,5,11]-dioxa-thiadiaza-cyclononadecine-water(4:1) |
| CAS Registry Number | 115261-55-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H30N2O2S |
| InChI | InChI=1S/C22H30N2O2S/c1-3-9-21-19(7-1)17-23-11-15-27-16-12-24-18-20-8-2-4-10-22(20)26-14-6-5-13-25-21/h1-4,7-10,23-24H,5-6,11-18H2 |
| InChIKey | VXDWZULCVAPUHG-UHFFFAOYSA-N |
| Instrument Name | SF = 300 MHz |
| Literature Reference | Austr. J. Chem. 40, 1861 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |