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2-Methylpropyl 4-(1,3-Dithian-2-yl)butanoate
SpectraBase Compound ID 6xizEESwuSz
InChI InChI=1S/C12H22O2S2/c1-10(2)9-14-11(13)5-3-6-12-15-7-4-8-16-12/h10,12H,3-9H2,1-2H3
InChIKey PIQYHSKSLKFACA-UHFFFAOYSA-N
Mol Weight 262.43 g/mol
Molecular Formula C12H22O2S2
Exact Mass 262.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B75QgzUSA9v
Name 2-Methylpropyl 4-(1,3-Dithian-2-yl)butanoate
Alternate Name(s) isobutyl 4-(1,3-dithian-2-yl)butanoate 4-(1,3-dithian-2-yl)butanoic acid 2-methylpropyl ester
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Formula C12H22O2S2
InChI InChI=1S/C12H22O2S2/c1-10(2)9-14-11(13)5-3-6-12-15-7-4-8-16-12/h10,12H,3-9H2,1-2H3
InChIKey PIQYHSKSLKFACA-UHFFFAOYSA-N
Molecular Weight 262.426 g/mol
SMILES C1(SCCCS1)CCCC(=O)OCC(C)C
SPLASH splash10-03di-0290000000-e037c5d27f05b94af33b
Source of Spectrum SO-0-70-5
Wiley ID 877295