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1,4-Naphthalenedione, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(ethylthio)-
SpectraBase Compound ID 8etguvH2PcB
InChI InChI=1S/C20H15ClO3S/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 GYFYKECGBUZCIH-UHFFFAOYSA-N
Mol Weight 370.85 g/mol
Molecular Formula C20H15ClO3S
Exact Mass 370.043043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cs4BtxIX197
Name 1,4-Naphthalenedione, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(ethylthio)-
CAS Registry Number 129155-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClO3S
InChI InChI=1S/C20H15ClO3S/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 GYFYKECGBUZCIH-UHFFFAOYSA-N
Molecular Weight 370.850 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)SCC)CC(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0901000000-17d9a2cbc1ddeeff81e3
Source of Spectrum KC-1990-444-6
Synonyms 2-(4'-Chlorophenacyl)-3-ethylthio-1,4-naphthoquinone 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(ethylsulfanyl)naphthoquinone
Wiley ID 1354196