SpectraBase Spectrum ID |
GyRi2nCWnpH |
Name |
4H-Benz[de]anthracene, 5,6-dihydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.109550451 u |
Formula |
C17H14 |
InChI |
InChI=1S/C17H14/c1-2-9-15-13(5-1)11-14-8-3-6-12-7-4-10-16(15)17(12)14/h1-2,4-5,7,9-11H,3,6,8H2 |
InChIKey |
VFZDNSWGNPSQLY-UHFFFAOYSA-N |
Molecular Weight |
218.299 g/mol |
SMILES |
C1=CC=CC2=C1C=C1CCCC=3C1=C2C=CC3 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815348 |