| SpectraBase Compound ID | 2UX3pr36ULd |
|---|---|
| InChI | InChI=1S/C8H11NO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3 |
| InChIKey | SIIUERHMYOPFQH-UHFFFAOYSA-N |
| Mol Weight | 185.24 g/mol |
| Molecular Formula | C8H11NO2S |
| Exact Mass | 185.05105 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GRS8T0jK4fW |
|---|---|
| Name | o-(Ethylsulfonyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.051049770 u |
| Formula | C8H11NO2S |
| InChI | InChI=1S/C8H11NO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3 |
| InChIKey | SIIUERHMYOPFQH-UHFFFAOYSA-N |
| Molecular Weight | 185.241 g/mol |
| SMILES | NC=1C(=CC=CC1)S(=O)(=O)CC |
| Spectrum/Structure Validation Score (Raman) | 0.804523 |