| SpectraBase Spectrum ID |
CpSGFDFidAu |
| Name |
Cyclopropanecarboxamide, 2-benzoyl-1-cyano-2-methyl-N-(3-methylphenyl)-3-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.168127954 u |
| Formula |
C26H22N2O2 |
| InChI |
InChI=1S/C26H22N2O2/c1-18-10-9-15-21(16-18)28-24(30)26(17-27)22(19-11-5-3-6-12-19)25(26,2)23(29)20-13-7-4-8-14-20/h3-16,22H,1-2H3,(H,28,30) |
| InChIKey |
ACLHWTNOKIPEGY-UHFFFAOYSA-N |
| Molecular Weight |
394.474 g/mol |
| SMILES |
C1(C(C(=O)C2=CC=CC=C2)(C)C1C=1C=CC=CC1)(C(NC1=CC(C)=CC=C1)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915681 |
