| SpectraBase Spectrum ID |
76bgFjchvZ |
| Name |
2-Chloro-9,10-bis(phenylethynyl)anthracene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.101878247 u |
| Formula |
C30H17Cl |
| InChI |
InChI=1S/C30H17Cl/c31-24-17-20-29-27(18-15-22-9-3-1-4-10-22)25-13-7-8-14-26(25)28(30(29)21-24)19-16-23-11-5-2-6-12-23/h1-14,17,20-21H |
| InChIKey |
YDYTTZZBQVZTPY-UHFFFAOYSA-N |
| Molecular Weight |
412.919 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(=C1C=CC(=CC1=C2C#CC1=CC=CC=C1)Cl)C#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916388 |
