| SpectraBase Spectrum ID |
GYUVtRNSPVJ |
| Name |
2-(4-Methylphenyl)-2-(5-oxidanylidene-2,3-diphenyl-thiophen-2-yl)ethanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.118735409 u |
| Formula |
C25H19NOS |
| InChI |
InChI=1S/C25H19NOS/c1-18-12-14-20(15-13-18)23(17-26)25(21-10-6-3-7-11-21)22(16-24(27)28-25)19-8-4-2-5-9-19/h2-16,23H,1H3 |
| InChIKey |
RRKDUQXAPWEYQO-UHFFFAOYSA-N |
| Molecular Weight |
381.493 g/mol |
| SMILES |
C1(C(=CC(S1)=O)C=1C=CC=CC1)(C(C#N)C=1C=CC(=CC1)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861829 |
