SpectraBase Spectrum ID |
1R9rTubPUDH |
Name |
(3-Iodanyl-4-methoxy-phenyl)-phenyl-methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
337.980374592 u |
Formula |
C14H11IO2 |
InChI |
InChI=1S/C14H11IO2/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,1H3 |
InChIKey |
LZKNYLDZTGMYFW-UHFFFAOYSA-N |
Molecular Weight |
338.144 g/mol |
SMILES |
C=1(C(=O)C=2C=CC=CC2)C=C(I)C(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956718 |