| SpectraBase Compound ID | LDkB5RGzb9b |
|---|---|
| InChI | InChI=1S/C16H12S/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H |
| InChIKey | APWYHOPXAIRDIZ-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C16H12S |
| Exact Mass | 236.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JVDqfD6eQ2l |
|---|---|
| Name | 2-Phenylsulfanylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.065971560 u |
| Formula | C16H12S |
| InChI | InChI=1S/C16H12S/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H |
| InChIKey | APWYHOPXAIRDIZ-UHFFFAOYSA-N |
| Molecular Weight | 236.332 g/mol |
| SMILES | C1(SC2=CC3=C(C=CC=C3)C=C2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81158 |