SpectraBase Spectrum ID |
2JZVUeO7O7q |
Name |
1,3-bis(2',4',6'-Trimethylphenyl)-2-[(phenylsulfonyl)methyl]imidazolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
462.234099515 u |
Formula |
C28H34N2O2S |
InChI |
InChI=1S/C28H34N2O2S/c1-19-14-21(3)27(22(4)15-19)29-12-13-30(28-23(5)16-20(2)17-24(28)6)26(29)18-33(31,32)25-10-8-7-9-11-25/h7-11,14-17,26H,12-13,18H2,1-6H3 |
InChIKey |
KVGGLWCTVBDOLW-UHFFFAOYSA-N |
Molecular Weight |
462.652 g/mol |
SMILES |
C1(N(C2=C(C=C(C=C2C)C)C)CCN1C=1C(=CC(=CC1C)C)C)CS(=O)(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946202 |