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1,4-Naphthalenedione, 2-(ethylthio)-3-[2-(4-fluorophenyl)-2-oxoethyl]-
SpectraBase Compound ID HWbA8ZT88QD
InChI InChI=1S/C20H15FO3S/c1-2-25-20-16(11-17(22)12-7-9-13(21)10-8-12)18(23)14-5-3-4-6-15(14)19(20)24/h3-10H,2,11H2,1H3
InChIKey ZWPQRSBQTUEFEB-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C20H15FO3S
Exact Mass 354.072594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzCeJ8f7F5K
Name 1,4-Naphthalenedione, 2-(ethylthio)-3-[2-(4-fluorophenyl)-2-oxoethyl]-
CAS Registry Number 129155-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15FO3S
InChI InChI=1S/C20H15FO3S/c1-2-25-20-16(11-17(22)12-7-9-13(21)10-8-12)18(23)14-5-3-4-6-15(14)19(20)24/h3-10H,2,11H2,1H3
InChIKey ZWPQRSBQTUEFEB-UHFFFAOYSA-N
Molecular Weight 354.395 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)SCC)CC(c1ccc(cc1)F)=O
SPLASH splash10-00di-2901000000-4955ffc64862266aa2dc
Source of Spectrum KC-1990-444-6
Synonyms 2-(ethylsulfanyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]naphthoquinone 2-Ethylthio-3-(4'-fluorophenacyl)-1,4-naphthoquinone
Wiley ID 1344536