SpectraBase Spectrum ID |
1ZqPiemSjf7 |
Name |
1-(3'-Methoxy[1,1'-biphenyl]-4-yl)ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.099379689 u |
Formula |
C15H14O2 |
InChI |
InChI=1S/C15H14O2/c1-11(16)12-6-8-13(9-7-12)14-4-3-5-15(10-14)17-2/h3-10H,1-2H3 |
InChIKey |
RINJTUZMQGRYAL-UHFFFAOYSA-N |
Molecular Weight |
226.275 g/mol |
SMILES |
C1(C2=CC=C(C=C2)C(=O)C)=CC(OC)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815789 |