| SpectraBase Compound ID | EdC8EojZxAA |
|---|---|
| InChI | InChI=1S/C13H13NO2S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-9H,10,14H2 |
| InChIKey | LDGSSQNAVUJZAL-UHFFFAOYSA-N |
| Mol Weight | 247.31 g/mol |
| Molecular Formula | C13H13NO2S |
| Exact Mass | 247.0667 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2vY2vRRPaAR |
|---|---|
| Name | o-(Benzylsulfonyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.066699835 u |
| Formula | C13H13NO2S |
| InChI | InChI=1S/C13H13NO2S/c14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-1-3-7-11/h1-9H,10,14H2 |
| InChIKey | LDGSSQNAVUJZAL-UHFFFAOYSA-N |
| Molecular Weight | 247.312 g/mol |
| SMILES | NC=1C(=CC=CC1)S(=O)(=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.987937 |