| SpectraBase Spectrum ID |
AhCcP94I5WB |
| Name |
3-[(o-Aminophenyl)thio]-3-(p-nitrophenyl)propiophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.103813619 u |
| Formula |
C21H18N2O3S |
| InChI |
InChI=1S/C21H18N2O3S/c22-18-8-4-5-9-20(18)27-21(14-19(24)15-6-2-1-3-7-15)16-10-12-17(13-11-16)23(25)26/h1-13,21H,14,22H2 |
| InChIKey |
OCVFYWNXMPQBJZ-UHFFFAOYSA-N |
| Molecular Weight |
378.446 g/mol |
| SMILES |
NC=1C=CC=CC1SC(C1=CC=C(C=C1)N(=O)=O)CC(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.95516 |
![3-[(o-Aminophenyl)thio]-3-(p-nitrophenyl)propiophenone](/api/spectrum/AhCcP94I5WB/structure.png?h=300&w=458 "3-[(o-Aminophenyl)thio]-3-(p-nitrophenyl)propiophenone")
