| SpectraBase Spectrum ID |
5KCO6gBR0ib |
| Name |
(2Z)-2-[(4-Methoxyphenyl)methylidene]-5,7-bis(oxidanyl)-1,4-benzodioxin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.063388100 u |
| Formula |
C16H12O6 |
| InChI |
InChI=1S/C16H12O6/c1-20-11-4-2-9(3-5-11)6-14-16(19)22-15-12(18)7-10(17)8-13(15)21-14/h2-8,17-18H,1H3/b14-6- |
| InChIKey |
QPSISEZSKKTUCP-NSIKDUERSA-N |
| SMILES |
C=12OC(\C(OC2=CC(=CC1O)O)=C\C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933315 |
![(2Z)-2-[(4-methoxyphenyl)methylidene]-5,7-bis(oxidanyl)-1,4-benzodioxin-3-one](/api/spectrum/5KCO6gBR0ib/structure.png?h=300&w=458 "(2Z)-2-[(4-methoxyphenyl)methylidene]-5,7-bis(oxidanyl)-1,4-benzodioxin-3-one")
