| SpectraBase Spectrum ID |
A4XeRvuiDUr |
| Name |
1-Hexanone, 2-methyl-1,6-diphenyl-2-(phenylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.170436630 u |
| Formula |
C25H26OS |
| InChI |
InChI=1S/C25H26OS/c1-25(27-23-18-9-4-10-19-23,24(26)22-16-7-3-8-17-22)20-12-11-15-21-13-5-2-6-14-21/h2-10,13-14,16-19H,11-12,15,20H2,1H3 |
| InChIKey |
BBOSARJIDJMBSY-UHFFFAOYSA-N |
| Molecular Weight |
374.542 g/mol |
| SMILES |
C(C(=O)C1=CC=CC=C1)(SC1=CC=CC=C1)(CCCCC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822942 |
