| SpectraBase Spectrum ID |
1oA8W0092N5 |
| Name |
2-Benzoyl-3-(3,4-dimethoxy-phenyl)-2-ethyl-cyclopropane-1,1-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.167853170 u |
| Formula |
C24H26O7 |
| InChI |
InChI=1S/C24H26O7/c1-6-23(20(25)15-10-8-7-9-11-15)19(24(23,21(26)30-4)22(27)31-5)16-12-13-17(28-2)18(14-16)29-3/h7-14,19H,6H2,1-5H3 |
| InChIKey |
URTLBBWCDYSYFK-UHFFFAOYSA-N |
| Molecular Weight |
426.465 g/mol |
| SMILES |
C1(C(C(=O)C=2C=CC=CC2)(CC)C1C1=CC(OC)=C(C=C1)OC)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959991 |
