| SpectraBase Spectrum ID |
58nNUcu84op |
| Name |
7,7-Dimethoxy-2,3-bis(methoxycarbonyl)cyclohepta-1,3,5-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.094688229 u |
| Formula |
C13H16O6 |
| InChI |
InChI=1S/C13H16O6/c1-16-11(14)9-6-5-7-13(18-3,19-4)8-10(9)12(15)17-2/h5-8H,1-4H3 |
| InChIKey |
CEEOJGLBFRGVQM-UHFFFAOYSA-N |
| SMILES |
C=1(C(C(=O)OC)=CC=CC(C1)(OC)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96858 |
