| SpectraBase Spectrum ID |
CpZaUjDGiwD |
| Name |
1,4-Dimethoxy-6,7,8,9-tetrahydro-5-benzocycloheptenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-15-11-7-8-12(16-2)13-9(11)5-3-4-6-10(13)14/h7-8H,3-6H2,1-2H3 |
| InChIKey |
NWPFWBZSTHWIQZ-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1=C(C=2CCCCC(C2C(=C1)OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95177 |
