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2-(2-pyrimidinylsulfonyl)octanedioic acid diethyl ester
SpectraBase Compound ID ETLuB5XZR6d
InChI InChI=1S/C16H24N2O6S/c1-3-23-14(19)10-7-5-6-9-13(15(20)24-4-2)25(21,22)16-17-11-8-12-18-16/h8,11-13H,3-7,9-10H2,1-2H3
InChIKey MHOLGJMVDAPUPN-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C16H24N2O6S
Exact Mass 372.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uOEJP7Msg8
Name 2-(2-pyrimidinylsulfonyl)octanedioic acid diethyl ester
Alternate Name(s) 2-(2-pyrimidylsulfonyl)suberic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H24N2O6S
InChI InChI=1S/C16H24N2O6S/c1-3-23-14(19)10-7-5-6-9-13(15(20)24-4-2)25(21,22)16-17-11-8-12-18-16/h8,11-13H,3-7,9-10H2,1-2H3
InChIKey MHOLGJMVDAPUPN-UHFFFAOYSA-N
Molecular Weight 372.436 g/mol
SMILES C(C(CCCCCC(=O)OCC)S(=O)(=O)c1ncccn1)(=O)OCC
SPLASH splash10-000i-0902000000-ce63e588058c6aadc999
Source of Spectrum J-65-4172-1
Wiley ID 1532462