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Ethyl (E)-5-(1,3-Dithian-2-yl)-5-methylhex-2-enoate
SpectraBase Compound ID 1GqhyG3Dszw
InChI InChI=1S/C13H22O2S2/c1-4-15-11(14)7-5-8-13(2,3)12-16-9-6-10-17-12/h5,7,12H,4,6,8-10H2,1-3H3/b7-5+
InChIKey LEEUXXRFWIWNLB-FNORWQNLSA-N
Mol Weight 274.44 g/mol
Molecular Formula C13H22O2S2
Exact Mass 274.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMP4QKmT7fe
Name Ethyl (E)-5-(1,3-Dithian-2-yl)-5-methylhex-2-enoate
Alternate Name(s) (E)-5-(1,3-dithian-2-yl)-5-methyl-2-hexenoic acid ethyl ester (E)-5-(1,3-dithian-2-yl)-5-methyl-hex-2-enoic acid ethyl ester
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Formula C13H22O2S2
InChI InChI=1S/C13H22O2S2/c1-4-15-11(14)7-5-8-13(2,3)12-16-9-6-10-17-12/h5,7,12H,4,6,8-10H2,1-3H3/b7-5+
InChIKey LEEUXXRFWIWNLB-FNORWQNLSA-N
Molecular Weight 274.437 g/mol
SMILES C1(SCCCS1)C(C\C=C\C(=O)OCC)(C)C
SPLASH splash10-014i-0910000000-e4c5647816858c971899
Source of Spectrum KC-0-686-3
Wiley ID 830141