| SpectraBase Compound ID | JJhghQa8AUt |
|---|---|
| InChI | InChI=1S/C12H10S/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-12/h1-7,12H,8H2 |
| InChIKey | OFUKEVBKBQAJQS-UHFFFAOYSA-N |
| Mol Weight | 186.27 g/mol |
| Molecular Formula | C12H10S |
| Exact Mass | 186.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qpAkBCtmaJ |
|---|---|
| Name | 2-(1-Naphthyl)thiirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.050321496 u |
| Formula | C12H10S |
| InChI | InChI=1S/C12H10S/c1-2-6-10-9(4-1)5-3-7-11(10)12-8-13-12/h1-7,12H,8H2 |
| InChIKey | OFUKEVBKBQAJQS-UHFFFAOYSA-N |
| Molecular Weight | 186.272 g/mol |
| SMILES | C1(SC1)C=1C=CC=C2C=CC=CC12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865562 |