For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benz[a]aceanthrylene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Benz[a]aceanthrylene
SpectraBase Compound ID E4tu7g8ju4V
InChI InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H
InChIKey OQDXASJSCOTNQS-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C20H12
Exact Mass 252.0939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KJqNBGA7yIK
Name Benz[A]aceanthrylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.093900386 u
Formula C20H12
InChI InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H
InChIKey OQDXASJSCOTNQS-UHFFFAOYSA-N
Molecular Weight 252.316 g/mol
SMILES C12=C3C(=CC=CC3=CC=3C1=CC=CC3)C=1C2=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960198