| SpectraBase Compound ID | Lc0cJWhDnyW |
|---|---|
| InChI | InChI=1S/C9H13NO2S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3 |
| InChIKey | SZHQMBFLAZHRLB-UHFFFAOYSA-N |
| Mol Weight | 199.27 g/mol |
| Molecular Formula | C9H13NO2S |
| Exact Mass | 199.0667 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53gjS8Ux2dm |
|---|---|
| Name | (4-((Methylsulfonyl)methyl)phenyl)methanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.066699835 u |
| Formula | C9H13NO2S |
| InChI | InChI=1S/C9H13NO2S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3 |
| InChIKey | SZHQMBFLAZHRLB-UHFFFAOYSA-N |
| Molecular Weight | 199.268 g/mol |
| SMILES | CS(=O)(=O)CC=1C=CC(CN)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922983 |