| SpectraBase Spectrum ID |
HY9lG68aiiF |
| Name |
5-[(p-Chlorophenyl)thio]-2-nitrophenol, acetate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.001906676 u |
| Formula |
C14H10ClNO4S |
| InChI |
InChI=1S/C14H10ClNO4S/c1-9(17)20-14-8-12(6-7-13(14)16(18)19)21-11-4-2-10(15)3-5-11/h2-8H,1H3 |
| InChIKey |
JJKIERMMCZQKFQ-UHFFFAOYSA-N |
| Molecular Weight |
323.750 g/mol |
| SMILES |
N(=O)(=O)C1=C(C=C(C=C1)SC=1C=CC(=CC1)Cl)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.812971 |
![5-[(p-Chlorophenyl)thio]-2-nitrophenol, acetate (ester)](/api/spectrum/HY9lG68aiiF/structure.png?h=300&w=458 "5-[(p-Chlorophenyl)thio]-2-nitrophenol, acetate (ester)")
