| SpectraBase Spectrum ID |
3nwNMeZxm0f |
| Name |
4-(Dibenzoylmethylene)-1-(p-toluenesulfonylmethylimino)-2,3-diphenyl-2-cyclobutene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
607.181729588 u |
| Formula |
C39H29NO4S |
| InChI |
InChI=1S/C39H29NO4S/c1-27-22-24-32(25-23-27)45(43,44)26-40-37-34(29-16-8-3-9-17-29)33(28-14-6-2-7-15-28)35(37)36(38(41)30-18-10-4-11-19-30)39(42)31-20-12-5-13-21-31/h2-25H,26H2,1H3/b40-37+ |
| InChIKey |
MXCFMYFLVVWBIE-UKRDSVFVSA-N |
| Molecular Weight |
607.724 g/mol |
| SMILES |
C=1(\C(C(C1C=1C=CC=CC1)=C(C(C=1C=CC=CC1)=O)C(C=1C=CC=CC1)=O)=N/CS(=O)(=O)C=1C=CC(=CC1)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895938 |
