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.beta.-((5-Methyl-1,4-naphthoquinonyl)thio)propionic acid
SpectraBase Compound ID CsjfOe1CXkd
InChI InChI=1S/C14H12O4S/c1-8-3-2-4-9-13(8)10(15)7-11(14(9)18)19-6-5-12(16)17/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKey ISKWYXAUSMJZHP-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C14H12O4S
Exact Mass 276.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKepEjfGJPK
Name .beta.-((5-Methyl-1,4-naphthoquinonyl)thio)propionic acid
Alternate Name(s) 3-[(5-methyl-1,4-dioxo-2-naphthalenyl)thio]propanoic acid 3-(5-Methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid 3-[(5-methyl-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid 3-[5-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanylpropanoic acid
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Formula C14H12O4S
InChI InChI=1S/C14H12O4S/c1-8-3-2-4-9-13(8)10(15)7-11(14(9)18)19-6-5-12(16)17/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKey ISKWYXAUSMJZHP-UHFFFAOYSA-N
Molecular Weight 276.306 g/mol
SMILES OC(CCSC1=CC(c2c(C1=O)cccc2C)=O)=O
SPLASH splash10-0uy0-7490000000-b5bc030ea6978eb8c842
Source of Spectrum C-116-1695-1
Wiley ID 1279829