| SpectraBase Compound ID | L1irCI9ydvH |
|---|---|
| InChI | InChI=1S/C13H10N2O4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3 |
| InChIKey | BBYJXKMKDGGATD-UHFFFAOYSA-N |
| Mol Weight | 290.29 g/mol |
| Molecular Formula | C13H10N2O4S |
| Exact Mass | 290.036128 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8iASYKrMC4J |
|---|---|
| Name | 2,4-Dinitrophenyl p-tolyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.036127980 u |
| Formula | C13H10N2O4S |
| InChI | InChI=1S/C13H10N2O4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3 |
| InChIKey | BBYJXKMKDGGATD-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1)N(=O)=O)SC=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.923895 |