| SpectraBase Compound ID | EWaDA018Era |
|---|---|
| InChI | InChI=1S/C17H14O2S/c1-19-15-8-4-2-6-13(15)17-12(10-18)11-20-16-9-5-3-7-14(16)17/h2-11,17H,1H3 |
| InChIKey | IZADDEBLPBXACX-UHFFFAOYSA-N |
| Mol Weight | 282.36 g/mol |
| Molecular Formula | C17H14O2S |
| Exact Mass | 282.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bw0eVLRK56a |
|---|---|
| Name | 4-(o-Anisyl)thiochromen-3-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.071450863 u |
| Formula | C17H14O2S |
| InChI | InChI=1S/C17H14O2S/c1-19-15-8-4-2-6-13(15)17-12(10-18)11-20-16-9-5-3-7-14(16)17/h2-11,17H,1H3 |
| InChIKey | IZADDEBLPBXACX-UHFFFAOYSA-N |
| SMILES | C1(C(=CSC2=C1C=CC=C2)C=O)C=1C(OC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887096 |