| SpectraBase Compound ID | IbHyLcZW5sm |
|---|---|
| InChI | InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 |
| InChIKey | FKHYYOUFMJBLAF-UHFFFAOYSA-N |
| Mol Weight | 311.49 g/mol |
| Molecular Formula | C20H25NS |
| Exact Mass | 311.170771 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8EGHdp4My5u |
|---|---|
| Name | Talsupram |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.170770983 u |
| Formula | C20H25NS |
| InChI | InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 |
| InChIKey | FKHYYOUFMJBLAF-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C(S1)(C)C)C=CC=C2)(CCCNC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914171 |