| SpectraBase Compound ID | 7J0v7CyKzoq |
|---|---|
| InChI | InChI=1S/C14H21NO2S/c1-5-11-8-13(17-3)12(9-14(11)18-4)6-7-15-10(2)16/h8-9H,5-7H2,1-4H3,(H,15,16) |
| InChIKey | LHYZEDGTVVIQMN-UHFFFAOYSA-N |
| Mol Weight | 267.39 g/mol |
| Molecular Formula | C14H21NO2S |
| Exact Mass | 267.1293 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ibq8Zt0BIFf |
|---|---|
| Name | 2C-5-Toet ac |
| 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/c1-5-11-8-13(17-3)12(9-14(11)18-4)6-7-15-10(2)16/h8-9H,5-7H2,1-4H3,(H,15,16) |
| InChIKey | LHYZEDGTVVIQMN-UHFFFAOYSA-N |
| Molecular Weight | 267.387 g/mol |
| SMILES | C=1(C(=CC(=C(C1)SC)CC)OC)CCNC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899506 |