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2-(tert-butylsulfonylamino)-1-cycloheptenecarboxylic acid ethyl ester
SpectraBase Compound ID ItKiMfxTtot
InChI InChI=1S/C14H25NO4S/c1-5-19-13(16)11-9-7-6-8-10-12(11)15-20(17,18)14(2,3)4/h15H,5-10H2,1-4H3
InChIKey VHCKNFGNVZDFSW-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C14H25NO4S
Exact Mass 303.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dflV8J8kgy
Name 2-(tert-butylsulfonylamino)-1-cycloheptenecarboxylic acid ethyl ester
Alternate Name(s) 2-(tert-butylsulfonylamino)cycloheptene-1-carboxylic acid ethyl ester ethyl 2-(tert-butylsulfonylamino)cycloheptene-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C14H25NO4S
InChI InChI=1S/C14H25NO4S/c1-5-19-13(16)11-9-7-6-8-10-12(11)15-20(17,18)14(2,3)4/h15H,5-10H2,1-4H3
InChIKey VHCKNFGNVZDFSW-UHFFFAOYSA-N
Molecular Weight 303.417 g/mol
SMILES N(C1=C(CCCCC1)C(=O)OCC)S(=O)(=O)C(C)(C)C
SPLASH splash10-0a4i-9001000000-4e091ccb8cd5061baa85
Source of Spectrum F4-0-1709-6
Wiley ID 1619798