| SpectraBase Spectrum ID |
5nLj8x71IMb |
| Name |
Benzonitrile, 2-benzylthio-4,6-di(phenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.113650028 u |
| Formula |
C26H19NO2S |
| InChI |
InChI=1S/C26H19NO2S/c27-18-24-25(29-22-14-8-3-9-15-22)16-23(28-21-12-6-2-7-13-21)17-26(24)30-19-20-10-4-1-5-11-20/h1-17H,19H2 |
| InChIKey |
KLTMEDSNKSOIBP-UHFFFAOYSA-N |
| Molecular Weight |
409.503 g/mol |
| SMILES |
C1(=C(C=C(C=C1SCC1=CC=CC=C1)OC=1C=CC=CC1)OC1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896562 |
