| SpectraBase Spectrum ID |
4LZpQj5iFPR |
| Name |
2-(2,5-Dimethoxyphenyl)-7-methoxy-2,4,6-cycloheptatrien-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/c1-18-11-8-9-14(19-2)13(10-11)12-6-4-5-7-15(20-3)16(12)17/h4-10H,1-3H3 |
| InChIKey |
MVSVXPOZIYWXJA-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C1=C(C(C(=CC=C1)OC)=O)C1=CC(=CC=C1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812479 |
