| SpectraBase Spectrum ID |
vxnlgBY8v9 |
| Name |
5-(3',4'-Dimethoxyphenyl)-2-methoxycyclohepta-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 |
272.104858991 u |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-18-14-8-5-11(4-7-13(14)17)12-6-9-15(19-2)16(10-12)20-3/h4-10H,1-3H3 |
| InChIKey |
YFSUSVCFFHLZCN-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C1(=CC=C(OC)C(C=C1)=O)C=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952404 |
