| SpectraBase Spectrum ID |
2VQdnJ4jQXB |
| Name |
3-(p-Toluenesulfonyl)juglone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.051109339 u |
| Formula |
C19H14O6S |
| InChI |
InChI=1S/C19H14O6S/c1-11-6-8-13(9-7-11)26(23,24)17-10-15(21)14-4-3-5-16(25-12(2)20)18(14)19(17)22/h3-10H,1-2H3 |
| InChIKey |
QNHTWQDXLMBRLY-UHFFFAOYSA-N |
| Molecular Weight |
370.375 g/mol |
| SMILES |
C=12C(=CC=CC1C(C=C(C2=O)S(C=1C=CC(=CC1)C)(=O)=O)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.837065 |
