SpectraBase Spectrum ID |
Lrx7IoMzqx0 |
Name |
Benz[E]acephenanthrylene, 1-(2,2-difluoroethenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.090706712 u |
Formula |
C22H12F2 |
InChI |
InChI=1S/C22H12F2/c23-20(24)12-14-9-10-18-16-7-3-4-8-17(16)19-11-13-5-1-2-6-15(13)21(14)22(18)19/h1-12H |
InChIKey |
HTBCMMLEEOYKOH-UHFFFAOYSA-N |
Molecular Weight |
314.335 g/mol |
SMILES |
C1=2C=3C4=CC=CC=C4C2C=CC(=C1C=1C(=CC=CC1)C3)C=C(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921884 |