| SpectraBase Compound ID | IR1VfRK0Vb3 |
|---|---|
| InChI | InChI=1S/C14H17NO3S/c1-8-6-11(19)15(2)13-9(16-3)7-10(17-4)14(18-5)12(8)13/h6-7H,1-5H3 |
| InChIKey | WFJJSDIXNDWEEZ-UHFFFAOYSA-N |
| Mol Weight | 279.35 g/mol |
| Molecular Formula | C14H17NO3S |
| Exact Mass | 279.092915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gv9ZBcRpz2H |
|---|---|
| Name | 5,6,8-Trimethoxy-1,4-dimethyl-2-quinolinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.092914582 u |
| Formula | C14H17NO3S |
| InChI | InChI=1S/C14H17NO3S/c1-8-6-11(19)15(2)13-9(16-3)7-10(17-4)14(18-5)12(8)13/h6-7H,1-5H3 |
| InChIKey | WFJJSDIXNDWEEZ-UHFFFAOYSA-N |
| SMILES | C1(N(C=2C(=CC(=C(C2C(=C1)C)OC)OC)OC)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93783 |