| SpectraBase Spectrum ID |
B9tXw94HrT |
| Name |
9B-(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylyl)-2,3,5,9B-tetrahydro-1H-imidazo[2,1-A]isoindol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.085381991 u |
| Formula |
C18H12F6N2O |
| InChI |
InChI=1S/C18H12F6N2O/c19-17(20,21)11-7-10(8-12(9-11)18(22,23)24)16-14-4-2-1-3-13(14)15(27)26(16)6-5-25-16/h1-4,7-9,25H,5-6H2 |
| InChIKey |
UYGSTBVLPIFNCD-UHFFFAOYSA-N |
| Molecular Weight |
386.297 g/mol |
| SMILES |
N1C2(C=3C=C(C=C(C3)C(F)(F)F)C(F)(F)F)C=3C=CC=CC3C(N2CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.944324 |
![9b-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2,3,5,9b-tetrahydro-1H-imidazo[2,1-a]isoindol-5-one](/api/spectrum/B9tXw94HrT/structure.png?h=300&w=458 "9b-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2,3,5,9b-tetrahydro-1H-imidazo[2,1-a]isoindol-5-one")
