| SpectraBase Compound ID | Eld8hMFgqTm |
|---|---|
| InChI | InChI=1S/C8H9NOS/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) |
| InChIKey | NPQONXIVTPCTNX-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 | Mvs0purG18 |
|---|---|
| Name | Carbamothioic acid, methyl-, S-phenyl ester |
| 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/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) |
| InChIKey | NPQONXIVTPCTNX-UHFFFAOYSA-N |
| Molecular Weight | 167.226 g/mol |
| SMILES | C(SC1=CC=CC=C1)(NC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924044 |