| SpectraBase Compound ID | AT9Spejk8WA |
|---|---|
| InChI | InChI=1S/C9H10S/c1-7-4-2-3-5-8(7)9-6-10-9/h2-5,9H,6H2,1H3 |
| InChIKey | ZWPTVTQCODVWAK-UHFFFAOYSA-N |
| Mol Weight | 150.24 g/mol |
| Molecular Formula | C9H10S |
| Exact Mass | 150.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8cE3DlW3Z0g |
|---|---|
| Name | 2-(2-Methylphenyl)thiirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.050321496 u |
| Formula | C9H10S |
| InChI | InChI=1S/C9H10S/c1-7-4-2-3-5-8(7)9-6-10-9/h2-5,9H,6H2,1H3 |
| InChIKey | ZWPTVTQCODVWAK-UHFFFAOYSA-N |
| Molecular Weight | 150.239 g/mol |
| SMILES | C1(SC1)C=1C(=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907536 |