| SpectraBase Compound ID | DbELGV7wodG |
|---|---|
| InChI | InChI=1S/C14H21NO2S/c1-10(2)9-18-14-8-12(16-3)11(5-6-15)7-13(14)17-4/h7-8H,1,5-6,9,15H2,2-4H3 |
| InChIKey | JCDUUDQZKIXJJP-UHFFFAOYSA-N |
| Mol Weight | 267.39 g/mol |
| Molecular Formula | C14H21NO2S |
| Exact Mass | 267.1293 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7HFG2tgOoxS |
|---|---|
| Name | 2C-T-3 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.129300092 u |
| Formula | C14H21NO2S |
| InChI | InChI=1S/C14H21NO2S/c1-10(2)9-18-14-8-12(16-3)11(5-6-15)7-13(14)17-4/h7-8H,1,5-6,9,15H2,2-4H3 |
| InChIKey | JCDUUDQZKIXJJP-UHFFFAOYSA-N |
| Molecular Weight | 267.387 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)CCN)OC)SCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843325 |