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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID EngA77vgbFZ
Name 5-(6-benzo[b]pyrenyl)pentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(CCCCc1c2c3c(c4c1cccc4)ccc1c3c(cc2)ccc1)=O
SPLASH splash10-014i-0094000000-3670d0ae8c182ef07874
Source of Spectrum U1-2003-3171-8
Synonyms 5-Benzo[b]pyren-6-ylpentanoic acid 5-Benzo[b]pyren-6-ylvaleric acid
Wiley ID 1523791