| SpectraBase Compound ID | Jzck6hYqTGy |
|---|---|
| InChI | InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11) |
| InChIKey | LQSZSWBMLMGWPC-UHFFFAOYSA-N |
| Mol Weight | 167.23 g/mol |
| Molecular Formula | C8H9NOS |
| Exact Mass | 167.040485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BIbzhNSGNs2 |
|---|---|
| Name | 3-Methoxythiobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.040485087 u |
| Formula | C8H9NOS |
| InChI | InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11) |
| InChIKey | LQSZSWBMLMGWPC-UHFFFAOYSA-N |
| Molecular Weight | 167.226 g/mol |
| SMILES | C1=C(C=CC=C1OC)C(N)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93195 |