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Tebufelone
SpectraBase Compound ID ATYxYKselAx
InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3
InChIKey ZHXUEUKVDMWSKV-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6m1B6m1Adnd
Name Tebufelone
CAS Registry Number 112018-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3
InChIKey ZHXUEUKVDMWSKV-UHFFFAOYSA-N
Molecular Weight 300.442 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)C(CCCC#C)=O)C(C)(C)C
SPLASH splash10-001i-0190000000-9f42af4af329daeb3c2e
Source of Spectrum NW-1066-0-0
Synonyms 1-(3,5-ditert-butyl-4-hydroxy-phenyl)hex-5-yn-1-one 1-(3,5-ditert-butyl-4-hydroxyphenyl)-5-hexyn-1-one 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)hex-5-yn-1-one
Wiley ID 1303389