| SpectraBase Compound ID | Ji0oxNnBIj7 |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-7(12)10-8-3-5-9(11-2)6-4-8/h3-6H,1-2H3,(H,10,12) |
| InChIKey | WZNUJVLBHDEJDY-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FyNWoe8w2z7 |
|---|---|
| Name | N-(4-Methoxyphenyl)ethanethioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-7(12)10-8-3-5-9(11-2)6-4-8/h3-6H,1-2H3,(H,10,12) |
| InChIKey | WZNUJVLBHDEJDY-UHFFFAOYSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | C(=S)(NC1=CC=C(C=C1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924462 |