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(3S,4S,5R,ALPHA-R)-3-[N-BENZYL-N-(ALPHA-METHYLBENZYL)-AMINO]-5-IODOHEXANO-4-LACTONE
SpectraBase Compound ID 5KU3PnmOIUL
InChI InChI=1S/C21H24INO2/c1-15(22)21-19(13-20(24)25-21)23(14-17-9-5-3-6-10-17)16(2)18-11-7-4-8-12-18/h3-12,15-16,19,21H,13-14H2,1-2H3/t15?,16?,19?,21-/m1/s1
InChIKey BATCHXIKJYBEQJ-ZQMXOTNOSA-N
Mol Weight 449.33 g/mol
Molecular Formula C21H24INO2
Exact Mass 449.085174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZMnPWatzCf
Name (3S,4S,5R,ALPHA-R)-3-[N-BENZYL-N-(ALPHA-METHYLBENZYL)-AMINO]-5-IODOHEXANO-4-LACTONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24INO2
InChI InChI=1S/C21H24INO2/c1-15(22)21-19(13-20(24)25-21)23(14-17-9-5-3-6-10-17)16(2)18-11-7-4-8-12-18/h3-12,15-16,19,21H,13-14H2,1-2H3/t15?,16?,19?,21-/m1/s1
InChIKey BATCHXIKJYBEQJ-ZQMXOTNOSA-N
Literature Reference Author S.G.DAVIES,G.D.SMYTH,A.M.CHIPPINDALE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3089(1999)
Literature Reference DOI 10.1039/a907017f
Molecular Weight 449.332 g/mol
Solvent CDCl3
Source File Reference UWRU7599