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4-endo-ACETYLAMINO-8-exo-BROMO-7-endo-METHYLSULFONYL-2-OXABICYCLO-[3.3.0]-OCTAN-3-ONE

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4-endo-ACETYLAMINO-8-exo-BROMO-7-endo-METHYLSULFONYL-2-OXABICYCLO-[3.3.0]-OCTAN-3-ONE
SpectraBase Compound ID 4daHUttytGw
InChI InChI=1S/C16H18BrNO6S/c1-8-3-5-10(6-4-8)25(21,22)24-12-7-11-14(18-9(2)19)16(20)23-15(11)13(12)17/h3-6,11-15H,7H2,1-2H3,(H,18,19)/t11?,12-,13+,14+,15?/m1/s1
InChIKey XNHJPFMQPXVUHY-IUWDBWQKSA-N
Mol Weight 432.29 g/mol
Molecular Formula C16H18BrNO6S
Exact Mass 431.003821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CyZOz5A516
Name 4-endo-ACETYLAMINO-8-exo-BROMO-7-endo-METHYLSULFONYL-2-OXABICYCLO-[3.3.0]-OCTAN-3-ONE
Compound Number 15
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H18BrNO6S/c1-8-3-5-10(6-4-8)25(21,22)24-12-7-11-14(18-9(2)19)16(20)23-15(11)13(12)17/h3-6,11-15H,7H2,1-2H3,(H,18,19)/t11?,12-,13+,14+,15?/m1/s1
InChIKey XNHJPFMQPXVUHY-IUWDBWQKSA-N
Literature Reference M.B.HURSTHOUSE,K.M.A.MALIK,D.E.HIBBS,S.M.ROBERTS,A.J.H.SEAGO,V.SIK,R.STORER J.CHEM.SOC.PERKIN-1,2419(1995)
Solvent Chloroform-d