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

*Links on SpectraBase are not permalinks.

6-[4'-Oxo-1'-pentenyl]-benzo[a]pyrene

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

6-[4'-Oxo-1'-pentenyl]-benzo[a]pyrene
SpectraBase Compound ID InsFpOK2c5y
InChI InChI=1S/C25H18O/c1-16(26)6-4-11-21-19-9-2-3-10-20(19)22-14-12-17-7-5-8-18-13-15-23(21)25(22)24(17)18/h2-5,7-15H,6H2,1H3/b11-4+
InChIKey PVCCGSQSWUYLOA-NYYWCZLTSA-N
Mol Weight 334.42 g/mol
Molecular Formula C25H18O
Exact Mass 334.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 6A3hm5R0ZDM
Name 6-[4'-oxo-1'-Pentenyl]-benzo[A]pyrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.135765199 u
Formula C25H18O
InChI InChI=1S/C25H18O/c1-16(26)6-4-11-21-19-9-2-3-10-20(19)22-14-12-17-7-5-8-18-13-15-23(21)25(22)24(17)18/h2-5,7-15H,6H2,1H3/b11-4+
InChIKey PVCCGSQSWUYLOA-NYYWCZLTSA-N
Molecular Weight 334.418 g/mol
SMILES C=12C3=C(\C=C\CC(=O)C)C=4C(C2=CC=C2C1C(C=C3)=CC=C2)=CC=CC4
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845586