| SpectraBase Spectrum ID |
GxxqLl7oUTQ |
| Name |
2-Benzylsulfonyl-4,6-diphenoxybenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.103479266 u |
| Formula |
C26H19NO4S |
| InChI |
InChI=1S/C26H19NO4S/c27-18-24-25(31-22-14-8-3-9-15-22)16-23(30-21-12-6-2-7-13-21)17-26(24)32(28,29)19-20-10-4-1-5-11-20/h1-17H,19H2 |
| InChIKey |
KRLGAXWPQGNKFX-UHFFFAOYSA-N |
| Molecular Weight |
441.501 g/mol |
| SMILES |
C=1C=CC(OC=2C(=C(S(CC=3C=CC=CC3)(=O)=O)C=C(OC=3C=CC=CC3)C2)C#N)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955232 |
