| SpectraBase Compound ID | FMqenrtVBHP |
|---|---|
| InChI | InChI=1S/C14H12OS/c1-16-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h2-10H,1H3 |
| InChIKey | OGPQFTMXDBEUSC-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C14H12OS |
| Exact Mass | 228.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B0p779hWpVe |
|---|---|
| Name | 3'-(Methylthio)biphenyl-2-carbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.060886179 u |
| Formula | C14H12OS |
| InChI | InChI=1S/C14H12OS/c1-16-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h2-10H,1H3 |
| InChIKey | OGPQFTMXDBEUSC-UHFFFAOYSA-N |
| Molecular Weight | 228.309 g/mol |
| SMILES | C=1(C=2C=CC=CC2C=O)C=C(C=CC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856488 |