| SpectraBase Spectrum ID |
ArmRA2402cw |
| Name |
3-Chloranyl-4-(2,5-dimethoxyphenyl)-2-methoxy-cyclobut-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.050236595 u |
| Formula |
C13H13ClO4 |
| InChI |
InChI=1S/C13H13ClO4/c1-16-7-4-5-9(17-2)8(6-7)10-11(14)13(18-3)12(10)15/h4-6,10H,1-3H3 |
| InChIKey |
CBXAGIBRNCKVAF-UHFFFAOYSA-N |
| Molecular Weight |
268.696 g/mol |
| SMILES |
C1(C(Cl)=C(C1=O)OC)C=1C(=CC=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963596 |
