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

*Links on SpectraBase are not permalinks.
Avobenzone
SpectraBase Compound ID 2e5FTXPCUPJ
InChI InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3
InChIKey XNEFYCZVKIDDMS-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 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 8JE8kN0Z4E4
Name Avobenzone
Classification UV-absorber in sunprotection cosmetics
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 310.156894565 u
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3
InChIKey XNEFYCZVKIDDMS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.393 g/mol
Nominal Mass 310 u
Quality 948
Retention Index 2739
SMILES C=1(C(C)(C)C)C=CC(C(CC(C=2C=CC(=CC2)OC)=O)=O)=CC1
SPLASH splash10-08g0-2925000000-74bb84fd8622a3266d43
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Technique GC/MS
Wiley ID DD2024_016311