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1,4-Naphthalenedione, 2-[2-(2-naphthalenyl)-2-oxoethyl]-3-(phenylthio)-
SpectraBase Compound ID 5cT70nS4zUu
InChI InChI=1S/C28H18O3S/c29-25(20-15-14-18-8-4-5-9-19(18)16-20)17-24-26(30)22-12-6-7-13-23(22)27(31)28(24)32-21-10-2-1-3-11-21/h1-16H,17H2
InChIKey OOZHSYKBBYFUBS-UHFFFAOYSA-N
Mol Weight 434.51 g/mol
Molecular Formula C28H18O3S
Exact Mass 434.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8xZ8JKM3bI
Name 1,4-Naphthalenedione, 2-[2-(2-naphthalenyl)-2-oxoethyl]-3-(phenylthio)-
Alternate Name(s) 2-[2-(2-naphthyl)-2-oxoethyl]-3-(phenylsulfanyl)naphthoquinone 2-[2-oxo-2-(2-naphthyl)thyl]-3-phenylthio-1,4-naphtho-quinone
CAS Registry Number 127636-03-7
Comments Less than 3 mono-isotopic peaks
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Formula C28H18O3S
InChI InChI=1S/C28H18O3S/c29-25(20-15-14-18-8-4-5-9-19(18)16-20)17-24-26(30)22-12-6-7-13-23(22)27(31)28(24)32-21-10-2-1-3-11-21/h1-16H,17H2
InChIKey OOZHSYKBBYFUBS-UHFFFAOYSA-N
Molecular Weight 434.509 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)CC(c1cc2ccccc2cc1)=O
SPLASH splash10-0059-0009800000-5ef0d3afb3d78c1e72c2
Source of Spectrum KC-1990-443-5
Wiley ID 1383095