| SpectraBase Compound ID | IpxBpdqOe2g |
|---|---|
| InChI | InChI=1S/C13H11NO4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | NBXXKVXNVMHZEP-UHFFFAOYSA-N |
| Mol Weight | 277.29 g/mol |
| Molecular Formula | C13H11NO4S |
| Exact Mass | 277.040879 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EqacafixUBh |
|---|---|
| Name | Benzyl o-nitrophenyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.040879008 u |
| Formula | C13H11NO4S |
| InChI | InChI=1S/C13H11NO4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | NBXXKVXNVMHZEP-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=C(S(CC=2C=CC=CC2)(=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.947678 |