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Ethyl 2-oxo-1-phenylsulfinyl-7-azabicyclo[3.1.0]hexane-7-carboxylate isomer
SpectraBase Compound ID FjwCBBhfvgG
InChI InChI=1S/C15H17NO4S/c1-2-20-14(18)16-12-9-6-10-13(17)15(12,16)21(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKey BUIPJHQHRSUNFN-UHFFFAOYSA-N
Mol Weight 307.36 g/mol
Molecular Formula C15H17NO4S
Exact Mass 307.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdMbsh3f8Fp
Name Ethyl 2-oxo-1-phenylsulfinyl-7-azabicyclo[3.1.0]hexane-7-carboxylate isomer
Comments Removed - expert review: column bleed; A corrected record has been addded having SpectrumID: 1718206
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Formula C15H17NO4S
InChI InChI=1S/C15H17NO4S/c1-2-20-14(18)16-12-9-6-10-13(17)15(12,16)21(19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKey BUIPJHQHRSUNFN-UHFFFAOYSA-N
Molecular Weight 307.364 g/mol
SMILES C12(N(C(=O)OCC)C2CCCC1=O)[S@@](=O)c1ccccc1
SPLASH splash10-0a7i-9830000000-9c4e26143d342f33991b
Source of Spectrum U1-2002-4073-4
Wiley ID 1523583