| SpectraBase Compound ID | LuUfvI6wkxr |
|---|---|
| InChI | InChI=1S/C8H10N2OS/c1-11-8(12)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,12) |
| InChIKey | FQKSTCHIHNHRLN-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C8H10N2OS |
| Exact Mass | 182.051384 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9d7QccvG6Ym |
|---|---|
| Name | Carbazic acid, 3-phenylthio-, o-methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.051384123 u |
| Formula | C8H10N2OS |
| InChI | InChI=1S/C8H10N2OS/c1-11-8(12)10-9-7-5-3-2-4-6-7/h2-6,9H,1H3,(H,10,12) |
| InChIKey | FQKSTCHIHNHRLN-UHFFFAOYSA-N |
| Molecular Weight | 182.241 g/mol |
| SMILES | C1(NNC(OC)=S)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854689 |