| SpectraBase Compound ID | 1KFhTgIsmR8 |
|---|---|
| InChI | InChI=1S/C14H9NOS/c15-8-7-10-5-6-12-14(9-10)17-13-4-2-1-3-11(13)16-12/h1-6,9H,7H2 |
| InChIKey | APILJDLPFKNFJR-UHFFFAOYSA-N |
| Mol Weight | 239.29 g/mol |
| Molecular Formula | C14H9NOS |
| Exact Mass | 239.040485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4knVfeoSabN |
|---|---|
| Name | 2-Phenoxathiinacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.040485087 u |
| Formula | C14H9NOS |
| InChI | InChI=1S/C14H9NOS/c15-8-7-10-5-6-12-14(9-10)17-13-4-2-1-3-11(13)16-12/h1-6,9H,7H2 |
| InChIKey | APILJDLPFKNFJR-UHFFFAOYSA-N |
| Molecular Weight | 239.292 g/mol |
| SMILES | C(#N)CC1=CC2=C(OC=3C(S2)=CC=CC3)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918317 |