| SpectraBase Spectrum ID |
7dc3YjXqkBK |
| Name |
2-Iodo-4'-methoxy-4-methyl-1,1'-biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.001110038 u |
| Formula |
C14H13IO |
| InChI |
InChI=1S/C14H13IO/c1-10-3-8-13(14(15)9-10)11-4-6-12(16-2)7-5-11/h3-9H,1-2H3 |
| InChIKey |
RUAHFLKNBLWJLP-UHFFFAOYSA-N |
| Molecular Weight |
324.161 g/mol |
| SMILES |
C=1(C=C(I)C(C2=CC=C(C=C2)OC)=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919108 |
