| SpectraBase Spectrum ID |
GjRxCWQaQJY |
| Name |
4',6'-Dimethoxy-4-dimethylamino-2'-(heptafluorobutyryl)oxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
523.122969884 u |
| Formula |
C23H20F7NO5 |
| InChI |
InChI=1S/C23H20F7NO5/c1-31(2)14-8-5-13(6-9-14)7-10-16(32)19-17(35-4)11-15(34-3)12-18(19)36-20(33)21(24,25)22(26,27)23(28,29)30/h5-12H,1-4H3/b10-7+ |
| InChIKey |
ZFUFGRXSOYWKLA-JXMROGBWSA-N |
| Molecular Weight |
523.404 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(\C=C\C=1C=CC(N(C)C)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924901 |
