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6-(benzenesulfonyl)-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylic acid tert-butyl ester
SpectraBase Compound ID 2XITtIqBXJn
InChI InChI=1S/C17H21NO5S/c1-16(2,3)23-15(20)18-13-10-7-11-14(19)17(13,18)24(21,22)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKey JLJMQAHTMFFAKU-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8q8D6PHrm8o
Name 6-(benzenesulfonyl)-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylic acid tert-butyl ester
Alternate Name(s) 6-besyl-5-keto-7-azabicyclo[4.1.0]heptane-7-carboxylic acid tert-butyl ester tert-Butyl 5-oxidanylidene-6-(phenylsulfonyl)-7-azabicyclo[4.1.0]heptane-7-carboxylate tert-Butyl 6-(benzenesulfonyl)-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylate
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Formula C17H21NO5S
InChI InChI=1S/C17H21NO5S/c1-16(2,3)23-15(20)18-13-10-7-11-14(19)17(13,18)24(21,22)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
InChIKey JLJMQAHTMFFAKU-UHFFFAOYSA-N
Molecular Weight 351.417 g/mol
SMILES C12(N(C(OC(C)(C)C)=O)C2CCCC1=O)S(=O)(=O)c1ccccc1
SPLASH splash10-0fbi-9700000000-a08a594f2a722c762fe6
Source of Spectrum SO-0-1978-0
Wiley ID 878925