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Oxybenzone
SpectraBase Compound ID IyeFcq5trKW
InChI InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKey DXGLGDHPHMLXJC-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JsJ4EQRiOC
Name Oxybenzone
CAS Registry Number 131-57-7
Classification UV Absorber
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Exact Mass 228.078644243 u
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKey DXGLGDHPHMLXJC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 228.247 g/mol
SMILES c1c(ccc(C(=O)c2ccccc2)c1O)OC
SPLASH splash10-0fb9-4890000000-20874652c539d9254d18
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.
Sample Preparation Procedure Detected: UHY
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3662