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1,4-Naphthalenedione, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(phenylthio)-
SpectraBase Compound ID 1xZPntRmpoW
InChI InChI=1S/C24H15ClO3S/c25-16-12-10-15(11-13-16)21(26)14-20-22(27)18-8-4-5-9-19(18)23(28)24(20)29-17-6-2-1-3-7-17/h1-13H,14H2
InChIKey LVBDHNVWVHMXLJ-UHFFFAOYSA-N
Mol Weight 418.89 g/mol
Molecular Formula C24H15ClO3S
Exact Mass 418.043043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Hq1JbTrR50
Name 1,4-Naphthalenedione, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(phenylthio)-
Alternate Name(s) 2-(4'-Chlorophenacyl)-3-phenylthio-1,4-naphthoquinone 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-(phenylsulfanyl)naphthoquinone
CAS Registry Number 127635-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H15ClO3S
InChI InChI=1S/C24H15ClO3S/c25-16-12-10-15(11-13-16)21(26)14-20-22(27)18-8-4-5-9-19(18)23(28)24(20)29-17-6-2-1-3-7-17/h1-13H,14H2
InChIKey LVBDHNVWVHMXLJ-UHFFFAOYSA-N
Molecular Weight 418.894 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)CC(c1ccc(cc1)Cl)=O
SPLASH splash10-0bi0-0035900000-65d87d0ad0541e9a0d97
Source of Spectrum KC-1990-443-5
Wiley ID 1377234