| SpectraBase Spectrum ID |
D1Z2FogftXq |
| Name |
1-Chloro-4-hydroxy-2-methoxy-3-(phenylethynyl)naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.060407357 u |
| Formula |
C19H13ClO2 |
| InChI |
InChI=1S/C19H13ClO2/c1-22-19-16(12-11-13-7-3-2-4-8-13)18(21)15-10-6-5-9-14(15)17(19)20/h2-10,21H,1H3 |
| InChIKey |
CQXBVGKUFJSEAE-UHFFFAOYSA-N |
| Molecular Weight |
308.764 g/mol |
| SMILES |
C1(C#CC2=CC=CC=C2)=C(C(Cl)=C2C(=C1O)C=CC=C2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889912 |
