| SpectraBase Compound ID | J9kuRjQJKO4 |
|---|---|
| InChI | InChI=1S/C17H27NO2S/c1-5-7-11-21-17-13-15(19-3)14(12-16(17)20-4)8-10-18-9-6-2/h6,12-13,18H,2,5,7-11H2,1,3-4H3 |
| InChIKey | BKYNQJHRDBDGSA-UHFFFAOYSA-N |
| Mol Weight | 309.47 g/mol |
| Molecular Formula | C17H27NO2S |
| Exact Mass | 309.17625 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IYFGKMBqjE |
|---|---|
| Name | 2C-T-19 all |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.176250285 u |
| Formula | C17H27NO2S |
| InChI | InChI=1S/C17H27NO2S/c1-5-7-11-21-17-13-15(19-3)14(12-16(17)20-4)8-10-18-9-6-2/h6,12-13,18H,2,5,7-11H2,1,3-4H3 |
| InChIKey | BKYNQJHRDBDGSA-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)OC)SCCCC)OC)CCNCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906168 |