| SpectraBase Compound ID | 8TdnBO2qPNk |
|---|---|
| InChI | InChI=1S/C14H23NOS/c1-6-11-9-13(16-4)12(7-8-15(2)3)10-14(11)17-5/h9-10H,6-8H2,1-5H3 |
| InChIKey | CGTJRQQMZCUEQB-UHFFFAOYSA-N |
| Mol Weight | 253.4 g/mol |
| Molecular Formula | C14H23NOS |
| Exact Mass | 253.150036 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JkjKaeGaB5k |
|---|---|
| Name | 2C-5-Toet 2me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.150035538 u |
| Formula | C14H23NOS |
| InChI | InChI=1S/C14H23NOS/c1-6-11-9-13(16-4)12(7-8-15(2)3)10-14(11)17-5/h9-10H,6-8H2,1-5H3 |
| InChIKey | CGTJRQQMZCUEQB-UHFFFAOYSA-N |
| Molecular Weight | 253.404 g/mol |
| SMILES | C=1(C(=CC(=C(C1)SC)CC)OC)CCN(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846838 |