| SpectraBase Spectrum ID |
GbxFyiLER9P |
| Name |
3,6-Dimethoxycyclohepta-3,5-diene-1,1-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.141638422 u |
| Formula |
C15H22O6 |
| InChI |
InChI=1S/C15H22O6/c1-5-20-13(16)15(14(17)21-6-2)9-11(18-3)7-8-12(10-15)19-4/h7-8H,5-6,9-10H2,1-4H3 |
| InChIKey |
SVQMEYALJGJWKT-UHFFFAOYSA-N |
| Molecular Weight |
298.335 g/mol |
| SMILES |
C1(CC(=CC=C(C1)OC)OC)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96387 |
