| SpectraBase Compound ID | 6nurlkKW4Dw |
|---|---|
| InChI | InChI=1S/C10H11NOS/c11-7-6-10(8-12)13-9-4-2-1-3-5-9/h1-5,10,12H,6,8H2 |
| InChIKey | IXVOZZURLRSFPK-UHFFFAOYSA-N |
| Mol Weight | 193.26 g/mol |
| Molecular Formula | C10H11NOS |
| Exact Mass | 193.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JZuDjlPLHcu |
|---|---|
| Name | 4-Hydroxy-3-(phenylthio)butanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.056135151 u |
| Formula | C10H11NOS |
| InChI | InChI=1S/C10H11NOS/c11-7-6-10(8-12)13-9-4-2-1-3-5-9/h1-5,10,12H,6,8H2 |
| InChIKey | IXVOZZURLRSFPK-UHFFFAOYSA-N |
| Molecular Weight | 193.264 g/mol |
| SMILES | C(#N)CC(SC1=CC=CC=C1)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802548 |