| SpectraBase Spectrum ID |
AGMt89rglrm |
| Name |
Dimethyl 2-(3,4-dimethylbenzoyl)cyclopropane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.115423675 u |
| Formula |
C16H18O5 |
| InChI |
InChI=1S/C16H18O5/c1-9-5-6-11(7-10(9)2)13(17)12-8-16(12,14(18)20-3)15(19)21-4/h5-7,12H,8H2,1-4H3 |
| InChIKey |
CNEODWIPSBYIHT-UHFFFAOYSA-N |
| SMILES |
C1(C(C(C2=CC(C)=C(C=C2)C)=O)C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883798 |
