![6,7,8,9,15,16,17,18-Octahydro-5,14-dithia-8,17-diaza-dibenzo[a]cyclotetradecene](/api/spectrum/B96v2xc86f7/structure.png?h=300&w=458 "6,7,8,9,15,16,17,18-Octahydro-5,14-dithia-8,17-diaza-dibenzo[a]cyclotetradecene")
| SpectraBase Compound ID | JBipZBDyYBl |
|---|---|
| InChI | InChI=1S/C18H22N2S2/c1-3-7-17-15(5-1)13-19-9-12-22-18-8-4-2-6-16(18)14-20-10-11-21-17/h1-8,19-20H,9-14H2 |
| InChIKey | JEWHOGHGTQGSKA-UHFFFAOYSA-N |
| Mol Weight | 330.51 g/mol |
| Molecular Formula | C18H22N2S2 |
| Exact Mass | 330.122441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B96v2xc86f7 |
|---|---|
| Name | 6,7,8,9,15,16,17,18-Octahydro-5,14-dithia-8,17-diaza-dibenzo[A]cyclotetradecene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.122441064 u |
| Formula | C18H22N2S2 |
| InChI | InChI=1S/C18H22N2S2/c1-3-7-17-15(5-1)13-19-9-12-22-18-8-4-2-6-16(18)14-20-10-11-21-17/h1-8,19-20H,9-14H2 |
| InChIKey | JEWHOGHGTQGSKA-UHFFFAOYSA-N |
| SMILES | N1CCSc2c(CNCCSc3c(C1)cccc3)cccc2 |