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5-[4-(1,3-dithian-2-yl)butyl]-3-methyl-1,2,4-trioxolane-3-carboxylic acid methyl ester
SpectraBase Compound ID F3zAISRViPC
InChI InChI=1S/C13H22O5S2/c1-13(12(14)15-2)16-10(17-18-13)6-3-4-7-11-19-8-5-9-20-11/h10-11H,3-9H2,1-2H3
InChIKey ZHCFAWBYMLBAKX-UHFFFAOYSA-N
Mol Weight 322.43 g/mol
Molecular Formula C13H22O5S2
Exact Mass 322.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DptJ48CWRhF
Name 5-[4-(1,3-dithian-2-yl)butyl]-3-methyl-1,2,4-trioxolane-3-carboxylic acid methyl ester
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Formula C13H22O5S2
InChI InChI=1S/C13H22O5S2/c1-13(12(14)15-2)16-10(17-18-13)6-3-4-7-11-19-8-5-9-20-11/h10-11H,3-9H2,1-2H3
InChIKey ZHCFAWBYMLBAKX-UHFFFAOYSA-N
Molecular Weight 322.434 g/mol
SMILES C1(OC(CCCCC2SCCCS2)OO1)(C(=O)OC)C
SPLASH splash10-014i-4910000000-ffeb9a356507b9a40b88
Source of Spectrum F-54-8535-1
Synonyms Methyl 5-[4-(1,3-dithian-2-yl)butyl]-3-methyl-1,2,4-trioxolane-3-carboxylate
Wiley ID 807999