| SpectraBase Spectrum ID |
G11qYYrxfrP |
| Name |
3-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]methylene}-2-hydroxy-2-(trifluoromethyl)chroman-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.082407039 u |
| Formula |
C19H14F3NO5 |
| InChI |
InChI=1S/C19H14F3NO5/c20-19(21,22)18(25)13(17(24)12-3-1-2-4-14(12)28-18)10-23-11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9-10,23,25H,7-8H2/b13-10- |
| InChIKey |
JERALKAZUPSJSV-RAXLEYEMSA-N |
| Molecular Weight |
393.318 g/mol |
| SMILES |
C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/NC=1C=C2OCCOC2=CC1)(C(F)(F)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948036 |
![3-{[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]methylene}-2-hydroxy-2-(trifluoromethyl)chroman-4-one](/api/spectrum/G11qYYrxfrP/structure.png?h=300&w=458 "3-{[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]methylene}-2-hydroxy-2-(trifluoromethyl)chroman-4-one")
