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

*Links on SpectraBase are not permalinks.

Benzo[a]pyren-3-ol

View entire compound with spectra: 1 MS (GC)

Benzo[a]pyren-3-ol
SpectraBase Compound ID 8mDfwyIk0LA
InChI InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChIKey SPUUWWRWIAEPDB-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C20H12O
Exact Mass 268.088815 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 ALF6s5GhEEe
Name Benzo[a]pyren-3-ol
CAS Registry Number 13345-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12O
InChI InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChIKey SPUUWWRWIAEPDB-UHFFFAOYSA-N
Molecular Weight 268.315 g/mol
SMILES Oc1c2c3c4c(c5ccccc5cc4cc2)ccc3cc1
SPLASH splash10-014i-0190000000-bf73809e7a1361af1d17
Source of Spectrum KO-9-100-1
Synonyms 3-Benzo[a]pyrenol 3-Hydroxybenzo[a]pyrene 8-Hydroxy-3,4-benzpyrene Benzo(a)pyrene, 3-hydroxy- benzo[def]chrysen-3-ol Bp-3-hydroxy BRN 2333868 CCRIS 1071
Wiley ID 1272839