SpectraBase Spectrum ID |
64kZh0Nbc0F |
Name |
2-(Benzyloxy)-4-iodo-1-methoxybenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.996024657 u |
Formula |
C14H13IO2 |
InChI |
InChI=1S/C14H13IO2/c1-16-13-8-7-12(15)9-14(13)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
InChIKey |
BKERQBIFDOEVNQ-UHFFFAOYSA-N |
Molecular Weight |
340.160 g/mol |
SMILES |
C1(=CC(=C(C=C1)OC)OCC1=CC=CC=C1)I |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962802 |