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CHZVUNDDDGTBKP-UHFFFAOYSA-N
SpectraBase Compound ID DhOju8Kv6m0
InChI InChI=1S/C12H20O3S2/c1-12(2)16-8-9(13)10(17-12)6-4-5-7-11(14)15-3/h10H,4-8H2,1-3H3
InChIKey CHZVUNDDDGTBKP-UHFFFAOYSA-N
Mol Weight 276.41 g/mol
Molecular Formula C12H20O3S2
Exact Mass 276.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68Tf4LEqung
Name 5-(2,2-dimethyl-5-oxo-1,3-dithian-4-yl)pentanoic acid methyl ester
Alternate Name(s) 5-(5-keto-2,2-dimethyl-1,3-dithian-4-yl)valeric acid methyl ester Methyl 5-(2,2-dimethyl-5-oxidanylidene-1,3-dithian-4-yl)pentanoate Methyl 5-(2,2-dimethyl-5-oxo-1,3-dithian-4-yl)pentanoate
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Formula C12H20O3S2
InChI InChI=1S/C12H20O3S2/c1-12(2)16-8-9(13)10(17-12)6-4-5-7-11(14)15-3/h10H,4-8H2,1-3H3
InChIKey CHZVUNDDDGTBKP-UHFFFAOYSA-N
Molecular Weight 276.409 g/mol
SMILES C1(SC(C(CS1)=O)CCCCC(=O)OC)(C)C
SPLASH splash10-00fr-4940000000-271b5234c49beb54e7b0
Source of Spectrum HE-2005-1132-9
Wiley ID 1613662