| SpectraBase Spectrum ID |
LJj2PvBPID7 |
| Name |
Tetramethyl 1,4,5,8-tetrahydro-2,3,6,7-anthracenetetra-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.131467660 u |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-27-19(23)15-7-11-5-13-9-17(21(25)29-3)18(22(26)30-4)10-14(13)6-12(11)8-16(15)20(24)28-2/h5-6H,7-10H2,1-4H3 |
| InChIKey |
OOUBSMBALWMURA-UHFFFAOYSA-N |
| Molecular Weight |
414.410 g/mol |
| SMILES |
C1C(=C(CC=2C=C3CC(=C(CC3=CC12)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844059 |
