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7-Methyl-1,2,5,6-tetrathia-3,4-diazacycloheptane-3,4-dicarboxylic acid-diethylester
SpectraBase Compound ID C94o0vCxCOW
InChI InChI=1S/C8H14N2O4S4/c1-4-13-7(11)9-10(8(12)14-5-2)18-16-6(3)15-17-9/h6H,4-5H2,1-3H3
InChIKey GXIKNWWEIMSULJ-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C8H14N2O4S4
Exact Mass 329.983642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FASG9vOIKhT
Name 7-Methyl-1,2,5,6-tetrathia-3,4-diazacycloheptane-3,4-dicarboxylic acid-diethylester
Alternate Name(s) Diethyl 7-methyl-1,2,5,6,3,4-tetrathiadiazepane-3,4-dicarboxylate
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Formula C8H14N2O4S4
InChI InChI=1S/C8H14N2O4S4/c1-4-13-7(11)9-10(8(12)14-5-2)18-16-6(3)15-17-9/h6H,4-5H2,1-3H3
InChIKey GXIKNWWEIMSULJ-UHFFFAOYSA-N
Molecular Weight 330.450 g/mol
SMILES C1(SSN(N(SS1)C(OCC)=O)C(=O)OCC)C
SPLASH splash10-0pc0-0898000000-87d42082b402421e2321
Source of Spectrum K-107-776-4
Wiley ID 1793620