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

*Links on SpectraBase are not permalinks.

5-(6-Benzo[B]pyrenyl)pentanoic acid

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

5-(6-Benzo[B]pyrenyl)pentanoic acid
SpectraBase Compound ID Lv1Usgv4VxX
InChI InChI=1S/C25H20O2/c26-23(27)11-4-3-10-20-18-8-1-2-9-19(18)21-14-12-16-6-5-7-17-13-15-22(20)25(21)24(16)17/h1-2,5-9,12-15H,3-4,10-11H2,(H,26,27)
InChIKey ROOVLYXSTSXUFH-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C25H20O2
Exact Mass 352.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AgZINCS7KjH
Name 5-(6-Benzo[B]pyrenyl)pentanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.146329882 u
Formula C25H20O2
InChI InChI=1S/C25H20O2/c26-23(27)11-4-3-10-20-18-8-1-2-9-19(18)21-14-12-16-6-5-7-17-13-15-22(20)25(21)24(16)17/h1-2,5-9,12-15H,3-4,10-11H2,(H,26,27)
InChIKey ROOVLYXSTSXUFH-UHFFFAOYSA-N
Molecular Weight 352.433 g/mol
SMILES C=12C3=C(CCCCC(=O)O)C=4C(C2=CC=C2C1C(C=C3)=CC=C2)=CC=CC4