SpectraBase Spectrum ID |
HqlTyhLRuX |
Name |
Methanone, cyclopropyl(3,4-dimethoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
206.094294308 u |
Formula |
C12H14O3 |
InChI |
InChI=1S/C12H14O3/c1-14-10-6-5-9(7-11(10)15-2)12(13)8-3-4-8/h5-8H,3-4H2,1-2H3 |
InChIKey |
WXDFELRIXYRAFJ-UHFFFAOYSA-N |
Molecular Weight |
206.241 g/mol |
SMILES |
C(C1CC1)(C1=CC(OC)=C(C=C1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928093 |