SpectraBase Spectrum ID |
CQaR6igP114 |
Name |
1,1'-Biphenyl, 2-formyl-4',5',6'-trimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.104858991 u |
Formula |
C16H16O4 |
InChI |
InChI=1S/C16H16O4/c1-18-14-9-8-13(15(19-2)16(14)20-3)12-7-5-4-6-11(12)10-17/h4-10H,1-3H3 |
InChIKey |
HZNLGAQAQKIVHV-UHFFFAOYSA-N |
Molecular Weight |
272.300 g/mol |
SMILES |
C1=CC(=C(C(=C1OC)OC)OC)C1=CC=CC=C1C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888733 |