| SpectraBase Compound ID | IYnoIfQoZeP |
|---|---|
| InChI | InChI=1S/C10H9NOS/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5,8H,3,7H2 |
| InChIKey | FVOBBHDXJPVTRF-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C10H9NOS |
| Exact Mass | 191.040485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 58vrjBCYUSi |
|---|---|
| Name | 2-(2-Cyanoethylsulfanyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.040485087 u |
| Formula | C10H9NOS |
| InChI | InChI=1S/C10H9NOS/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5,8H,3,7H2 |
| InChIKey | FVOBBHDXJPVTRF-UHFFFAOYSA-N |
| Molecular Weight | 191.248 g/mol |
| SMILES | C(#N)CCSC=1C(C=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903956 |