| SpectraBase Spectrum ID |
1q4OOv9aiiP |
| Name |
2-Bromanyl-7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-naphthalen-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.960749562 u |
| Formula |
C13H12BrClO4 |
| InChI |
InChI=1S/C13H12BrClO4/c1-18-9-4-8(15)13(19-2)10-7(9)3-6(5-16)11(14)12(10)17/h3-4,16-17H,5H2,1-2H3 |
| InChIKey |
HYMDWCGFKRJJSY-UHFFFAOYSA-N |
| Molecular Weight |
347.592 g/mol |
| SMILES |
C=1(C(=C(C=C2C(=CC(=C(C12)OC)Cl)OC)CO)Br)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940462 |
