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

*Links on SpectraBase are not permalinks.
1H-Phenalen-1-one
SpectraBase Compound ID 1K889NIxs2o
InChI InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H
InChIKey WWBGWPHHLRSTFI-UHFFFAOYSA-N
Mol Weight 180.21 g/mol
Molecular Formula C13H8O
Exact Mass 180.057515 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 8V0D900zueh
Name Flurenol artifact @
CAS Registry Number 548-39-0
Classification Herbicide Chemical
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.057514877 u
Formula C13H8O
InChI InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H
InChIKey WWBGWPHHLRSTFI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 180.206 g/mol
SMILES C1(=O)c2c3c(C=C1)cccc3ccc2
SPLASH splash10-0f89-2900000000-230a2afd7a46db43593c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phenalenone
Technique GC/MS
Wiley ID MMPW6e_3186