| SpectraBase Spectrum ID |
AlP6PVxiF5X |
| Name |
1-Hydroxy-4-methoxy-2-phenyl-3-(2-phenylethynyl)phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.146329882 u |
| Formula |
C29H20O2 |
| InChI |
InChI=1S/C29H20O2/c1-31-29-25(18-16-20-10-4-2-5-11-20)26(22-13-6-3-7-14-22)28(30)24-19-17-21-12-8-9-15-23(21)27(24)29/h2-15,17,19,30H,1H3 |
| InChIKey |
ZHWGEENTODAQQD-UHFFFAOYSA-N |
| Molecular Weight |
400.477 g/mol |
| SMILES |
C=1(C(=C2C=3C(=CC=CC3)C=CC2=C(C1C=1C=CC=CC1)O)OC)C#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95115 |
