SpectraBase Spectrum ID |
KJl568zlu4u |
Name |
6-Methyl-11H-benzo[A]fluorene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.109550451 u |
Formula |
C18H14 |
InChI |
InChI=1S/C18H14/c1-12-10-13-6-2-4-8-15(13)17-11-14-7-3-5-9-16(14)18(12)17/h2-10H,11H2,1H3 |
InChIKey |
MRYVTNVQOXYINT-UHFFFAOYSA-N |
Molecular Weight |
230.310 g/mol |
SMILES |
C1C=2C=3C(C=C(C2C=2C=CC=CC12)C)=CC=CC3 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941512 |