| SpectraBase Spectrum ID |
BoIOBuC6bl2 |
| Name |
1-(Methylphenylamino)-2,4-bis(phenylsulfonyl)-1-cyclobutene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.091200504 u |
| Formula |
C23H21NO4S2 |
| InChI |
InChI=1S/C23H21NO4S2/c1-24(18-11-5-2-6-12-18)23-21(29(25,26)19-13-7-3-8-14-19)17-22(23)30(27,28)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3 |
| InChIKey |
FOBYTKQBPXKUGG-UHFFFAOYSA-N |
| Molecular Weight |
439.544 g/mol |
| SMILES |
C=1(C(CC1S(=O)(C1=CC=CC=C1)=O)S(C1=CC=CC=C1)(=O)=O)N(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915433 |
