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2-Propyn-1-one, 1-[2-hydroxy-4-(1-methylethoxy)phenyl]-3-phenyl-
SpectraBase Compound ID SCXqbPMiuD
InChI InChI=1S/C18H16O3/c1-13(2)21-15-9-10-16(18(20)12-15)17(19)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13,20H,1-2H3
InChIKey SEERRXMMWGDUFW-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IT0DwgqOdDO
Name 2-Propyn-1-one, 1-[2-hydroxy-4-(1-methylethoxy)phenyl]-3-phenyl-
CAS Registry Number 128791-93-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-13(2)21-15-9-10-16(18(20)12-15)17(19)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13,20H,1-2H3
InChIKey SEERRXMMWGDUFW-UHFFFAOYSA-N
Molecular Weight 280.323 g/mol
SMILES Oc1c(C(C#Cc2ccccc2)=O)ccc(OC(C)C)c1
SPLASH splash10-000i-0690000000-96303eb31a9bb0104994
Source of Spectrum KC-1990-424-1
Synonyms 1-(2-hydroxy-4-isopropoxyphenyl)-3-phenyl-2-propyn-1-one 3-Phenyl-1-(2-hydroxy-4-isopropoxyphenyl)prop-2-yn-1-one
Wiley ID 1284272