| SpectraBase Spectrum ID |
7a7ekjurGtS |
| Name |
2-Methoxy-6-(3',4',5'-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.115423675 u |
| Formula |
C17H18O5 |
| InChI |
InChI=1S/C17H18O5/c1-19-14-7-5-6-11(8-13(14)18)12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10H,1-4H3 |
| InChIKey |
PMWIYCILMCSHQO-UHFFFAOYSA-N |
| SMILES |
C1(=CC(C(OC)=CC=C1)=O)C=1C=C(OC)C(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904251 |
