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1,4-Dihydroxynaphthyl-1,2-thiole-2-thione hexanoate
SpectraBase Compound ID GDq4y22A2Ry
InChI InChI=1S/C23H26O4S3/c1-3-5-7-13-17(24)26-19-15-11-9-10-12-16(15)20(22-21(19)29-23(28)30-22)27-18(25)14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
InChIKey LIPUCQMRUALUOY-UHFFFAOYSA-N
Mol Weight 462.64 g/mol
Molecular Formula C23H26O4S3
Exact Mass 462.099323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIbJPaSpdXg
Name 1,4-Dihydroxynaphthyl-1,2-thiole-2-thione hexanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H26O4S3
InChI InChI=1S/C23H26O4S3/c1-3-5-7-13-17(24)26-19-15-11-9-10-12-16(15)20(22-21(19)29-23(28)30-22)27-18(25)14-8-6-4-2/h9-12H,3-8,13-14H2,1-2H3
InChIKey LIPUCQMRUALUOY-UHFFFAOYSA-N
Molecular Weight 462.637 g/mol
SMILES c12c(c(OC(=O)CCCCC)c3c(c2OC(=O)CCCCC)cccc3)SC(S1)=S
SPLASH splash10-004i-0090000000-1e32114be6399915836c
Source of Spectrum F-49-3041-16
Synonyms Hexanoic acid 9-hexanoyloxy-2-thioxo-naphtho[2,3-d][1,3]dithiol-4-yl ester
Wiley ID 1390965