| SpectraBase Spectrum ID |
BILQBSIQUeX |
| Name |
4-Keto-1,3-dihydrophenanthrene-2,2-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.131073739 u |
| Formula |
C20H20O5 |
| InChI |
InChI=1S/C20H20O5/c1-3-24-18(22)20(19(23)25-4-2)11-14-10-9-13-7-5-6-8-15(13)17(14)16(21)12-20/h5-10H,3-4,11-12H2,1-2H3 |
| InChIKey |
XPSDKJDRCSZUBV-UHFFFAOYSA-N |
| Molecular Weight |
340.375 g/mol |
| SMILES |
C1C(CC(C=2C=3C=CC=CC3C=CC12)=O)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871236 |
