SpectraBase Spectrum ID |
HDbEuMGuQhX |
Name |
1-Methyl-5,6,7,8-tetrafluoro-1,4-dihydro-1,4-iminonaphthalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.051461881 u |
Formula |
C11H7F4N |
InChI |
InChI=1S/C11H7F4N/c1-11-3-2-4(16-11)5-6(11)8(13)10(15)9(14)7(5)12/h2-4,16H,1H3 |
InChIKey |
AUNHXJRYISVHRZ-UHFFFAOYSA-N |
Molecular Weight |
229.178 g/mol |
SMILES |
C1=2C(=C(F)C(=C(C2F)F)F)C2NC1(C=C2)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868867 |