| SpectraBase Compound ID | 1L2NDnDxTPZ |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-8H,1H3/b8-2- |
| InChIKey | BWSNBXGFQGTUOK-WAPJZHGLSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6QaAjVH1Oa8 |
|---|---|
| Name | Benzene, (1-propenylsulfonyl)-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.040150734 u |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-8H,1H3/b8-2- |
| InChIKey | BWSNBXGFQGTUOK-WAPJZHGLSA-N |
| Molecular Weight | 182.237 g/mol |
| SMILES | C1(S(=O)(=O)\C=C/C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847085 |