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.beta.-((6-Methyl-1,4-naphthoquinonyl)thio)propionic acid

View entire compound with spectra: 1 MS (GC)

.beta.-((6-Methyl-1,4-naphthoquinonyl)thio)propionic acid
SpectraBase Compound ID 5KNt7HIvenY
InChI InChI=1S/C14H12O4S/c1-8-2-3-9-10(6-8)11(15)7-12(14(9)18)19-5-4-13(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKey KFXOXAYFFZGDQP-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 8MAKTi7u1bS
Name .beta.-((6-Methyl-1,4-naphthoquinonyl)thio)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4S
InChI InChI=1S/C14H12O4S/c1-8-2-3-9-10(6-8)11(15)7-12(14(9)18)19-5-4-13(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKey KFXOXAYFFZGDQP-UHFFFAOYSA-N
Molecular Weight 276.306 g/mol
SMILES OC(CCSC1=CC(=O)c2c(C1=O)ccc(C)c2)=O
SPLASH splash10-014j-9500000000-1ac5955d13a2fb56f093
Source of Spectrum C-116-1696-11
Wiley ID 1279828